Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 43401 |  UGK CHEMBL5314413 DB19045 |
2 | C23 H21 F N6 O3 | InChI=1S/C23H21FN6O3/c1-1 2-15(11-28(2)27-12)13-6-1 4-17(7-19(13)32-4)26-9-18 -21(14)30(23(31)29(18)3)2 2-16(24)8-25-10-20(22)33- 5/h6-11H,1-5H3; WNEFOSMCGCLLJU-UHFFFAOYSA-N |
COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc 4c23)c5cn(C)nc5C; Cc1c(cn(n1)C)c2cc3c(cc 2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC |
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one |
| 43402 |  UGL |
2 | C9 H13 N3 O3 | InChI=1S/C9H13N3O3/c1-6(2 -3-8(13)14)11-9(15)7-4-5- 10-12-7/h4-6H,2-3H2,1H3,( H,10,12)(H,11,15)(H,13,14 )/t6-/m1/s1; RSKBJUVHKFRVMZ-ZCFIWIBFSA-N |
CC(CCC(=O)O)NC(=O)c1cc[nH]n1; C[CH](CCC( O)=O)NC(=O)c1cc[nH]n1; C[C@H](CCC(O)=O)N C(=O)c1cc[nH]n1; C[C@H](CCC(=O)O)NC(=O)c 1cc[nH]n1 |
(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid |
| 43403 |  UGM |
1 | C13 H10 N4 O | InChI=1S/C13H10N4O/c14-6- 11-4-10(7-16-8-11)5-13(18 )17-12-2-1-3-15-9-12/h1-4 ,7-9H,5H2,(H,17,18); DQOFNGNCBXHENB-UHFFFAOYSA-N |
O=C(Cc1cncc(c1)C#N)Nc2cccnc2; N#Cc1cncc( c1)CC(=O)Nc2cccnc2; c1cc(cnc1)NC(=O)Cc2c c(cnc2)C#N |
2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide |
| 43404 |  UGN |
1 | C15 H24 N2 O2 S | InChI=1S/C15H24N2O2S/c1-1 3(2)12-16-8-10-17(11-9-16 )20(18,19)15-6-4-14(3)5-7 -15/h4-7,13H,8-12H2,1-3H3; VDISKSVXKJQHCZ-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C; CC (C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
| 43405 |  UGO |
2 | C22 H32 N5 O6 | InChI=1S/C22H32N5O6/c28-1 4-18-20(30)21(31)19(29)13 -26(18)11-4-2-1-3-8-23-16 -7-6-15(12-17(16)27(32)33 )22-24-9-5-10-25-22/h5-7, 9-10,12,18-21,23,28-32H,1 -4,8,11,13-14H2/t18-,19+, 20-,21-/m1/s1; WPRQGBYRQQLONQ-PLACYPQZSA-N |
c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NCCCC CCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C CCCCCNc2ccc(cc2[N+]([OH-])=O)c3ncccn3; O C[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2c cc(cc2[N+]([OH-])=O)c3ncccn3; O=N(=O)c1c c(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn 1; c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NC CCCCCN3CC(C(C(C3CO)O)O)O |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol |
| 43406 |  UGP |
1 | C15 H13 N3 O | InChI=1S/C15H13N3O/c1-11- 5-6-17-10-14(11)18-15(19) 8-12-3-2-4-13(7-12)9-16/h 2-7,10H,8H2,1H3,(H,18,19); OTFRLGRHXMKEAF-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)C#N; N(C(Cc1cc cc(C#N)c1)=O)c2cnccc2C |
2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 43407 |  UGQ CHEMBL1327868 ZINC000000029422 |
1 | C16 H17 N O2 S | InChI=1S/C16H17NO2S/c1-13 -6-8-16(9-7-13)20(18,19)1 7-11-10-14-4-2-3-5-15(14) 12-17/h2-9H,10-12H2,1H3; ABXZGZXVLBYJDK-UHFFFAOYSA-N |
Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2; Cc 1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 |
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline |
| 43408 |  UGR |
2 | C26 H26 N6 O5 S | InChI=1S/C26H26N6O5S/c27- 17(26(35)36)7-8-38-12-19- 21(33)22(34)25(37-19)32-1 1-16(20-23(28)30-13-31-24 (20)32)6-5-14-9-15-3-1-2- 4-18(15)29-10-14/h1-4,9-1 1,13,17,19,21-22,25,33-34 H,7-8,12,27H2,(H,35,36)(H 2,28,30,31)/t17-,19+,21+, 22+,25+/m0/s1; SPMFBZXXQBXKFX-LUOSIZPJSA-N |
c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)[ C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H](C (=O)O)N)O)O; N[CH](CCSC[CH]1O[CH]([CH](O )[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncn c25)C(O)=O; N[C@@H](CCSC[C@H]1O[C@H]([C@ H](O)[C@@H]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c (N)ncnc25)C(O)=O; c1ccc2c(c1)cc(cn2)C#Cc 3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O )N)O)O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 43409 |  UGS CHEMBL4744511 |
1 | C18 H16 N2 O2 | InChI=1S/C18H16N2O2/c1-22 -16-8-9-19-17(12-16)20-18 (21)11-13-6-7-14-4-2-3-5- 15(14)10-13/h2-10,12H,11H 2,1H3,(H,19,20,21); LGUXBXKDCLNCEH-UHFFFAOYSA-N |
N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC; C Oc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2; COc1cc nc(NC(=O)Cc2ccc3ccccc3c2)c1 |
N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide |
| 43410 |  UGT ZINC000223071420 |
1 | C16 H19 N3 O S | InChI=1S/C16H19N3OS/c17-1 6(15-5-2-8-21-15)19-13-4- 1-3-12(9-13)11-20-14-6-7- 18-10-14/h1-5,8-9,14,18H, 6-7,10-11H2,(H2,17,19)/t1 4-/m1/s1; OOJUYDKIKUNGMC-CQSZACIVSA-N |
NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3; c 1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC 3; c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3; N C(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3 |
N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide |
| 43411 |  UGU CHEMBL815 DB12789 ZINC000003830709 |
3 | C20 H34 O5 | InChI=1S/C20H34O5/c1-2-3- 6-9-15(21)12-13-17-16(18( 22)14-19(17)23)10-7-4-5-8 -11-20(24)25/h4,7,12-13,1 5-19,21-23H,2-3,5-6,8-11, 14H2,1H3,(H,24,25)/b7-4-, 13-12+/t15-,16+,17+,18-,1 9+/m0/s1; PXGPLTODNUVGFL-YNNPMVKQSA-N |
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O; CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O )[C@@H]1C\C=C/CCCC(O)=O; CCCCC[CH](O)C=C [CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O; CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C @@H]1C/C=C\CCCC(=O)O)O)O)O |
(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid; Dinoprost; Prostaglandin F2a; PGF2alpha |
| 43412 |  UGV |
1 | C11 H9 Cl N2 O S | InChI=1S/C11H9ClN2OS/c12- 10-4-3-9(16-10)6-11(15)14 -8-2-1-5-13-7-8/h1-5,7H,6 H2,(H,14,15); VLAXFSPPTLAYDD-UHFFFAOYSA-N |
c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl; Clc1sc(CC( =O)Nc2cccnc2)cc1; n2cccc(NC(Cc1ccc(s1)Cl )=O)c2 |
2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide |
| 43413 |  UGW CHEMBL29873 ZINC000001081075 |
2 | C14 H22 O | InChI=1S/C14H22O/c1-13(2, 3)10-7-8-12(15)11(9-10)14 (4,5)6/h7-9,15H,1-6H3; ICKWICRCANNIBI-UHFFFAOYSA-N |
CC(C)(C)c1ccc(O)c(c1)C(C)(C)C; CC(C)(C)c 1ccc(c(c1)C(C)(C)C)O |
2,4-di~{tert}-butylphenol |
| 43414 |  UGX ZINC000095920975 |
1 | C18 H23 N3 O2 S | InChI=1S/C18H23N3O2S/c1-1 8(2,3)11-20-16(22)7-14-8- 19-17(23)15-6-13(9-21(14) 15)12-4-5-24-10-12/h4-6,9 -10,14H,7-8,11H2,1-3H3,(H ,19,23)(H,20,22)/t14-/m0/ s1; PNMQDIXULZYDDT-AWEZNQCLSA-N |
CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3 cscc3; O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC (C)(C)C)CN3; CC(C)(C)CNC(=O)C[C@H]1CNC(= O)c2cc(cn12)c3cscc3; CC(C)(C)CNC(=O)CC1C NC(=O)c2n1cc(c2)c3ccsc3; CC(C)(C)CNC(=O) C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 |
N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide |
| 43415 |  UGY |
16 | C3 H7 N3 O3 | InChI=1S/C3H7N3O3/c4-1(2( 7)8)6-3(5)9/h1H,4H2,(H,7, 8)(H3,5,6,9)/t1-/m0/s1; VTFWFHCECSOPSX-SFOWXEAESA-N |
C(C(=O)O)(N)NC(=O)N; [C@H](C(=O)O)(N)NC( =O)N; O=C(N)NC(N)C(=O)O; N[C@@H](NC(N)=O )C(O)=O; N[CH](NC(N)=O)C(O)=O |
(2S)-amino(carbamoylamino)ethanoic acid; (S)-2-ureidoglycine |
| 43416 |  UGZ CHEMBL4865534 |
5 | C25 H27 Cl N2 O5 S | InChI=1S/C25H27ClN2O5S/c1 -31-23-14-17(6-7-19(23)16 -27-10-11-28-34(2,29)30)2 0-4-3-5-21(25(20)26)18-8- 9-22-24(15-18)33-13-12-32 -22/h3-9,14-15,27-28H,10- 13,16H2,1-2H3; XIYNVYMSOIQZSL-UHFFFAOYSA-N |
COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c 3ccc4c(c3)OCCO4; COc1cc(ccc1CNCCN[S](C)( =O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3 |
N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide; ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide |
| 43417 |  UH0 |
0 | C26 H31 F N8 O6 | InChI=1S/C26H31FN8O6/c1-1 4-8-21(23(37)25(38)40-14) 33(2)13-22(36)29-11-17-12 -35(26(39)41-17)16-5-6-18 (19(27)9-16)15-4-7-20(28- 10-15)24-30-32-34(3)31-24 /h4-7,9-10,14,17,21,23,25 ,37-38H,8,11-13H2,1-3H3,( H,29,36)/t14-,17+,21+,23- ,25-/m1/s1; REKLJVWYYWKOBN-FIWUYBIJSA-N |
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O)O)N(C) CC(=O)NC[C@H]2CN(C(=O)O2)c3ccc(c(c3)F)c4 ccc(nc4)c5nnn(n5)C; OC1C(CC(C)OC1O)N(C)C C(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c (F)c2)C(=O)O1; CC1CC(C(C(O1)O)O)N(C)CC(= O)NCC2CN(C(=O)O2)c3ccc(c(c3)F)c4ccc(nc4) c5nnn(n5)C; C[C@@H]1C[C@@H]([C@@H](O)[C@ H](O)O1)N(C)CC(=O)NC[C@H]2CN(C(=O)O2)c3c cc(c(F)c3)c4ccc(nc4)c5nnn(C)n5; C[CH]1C[ CH]([CH](O)[CH](O)O1)N(C)CC(=O)NC[CH]2CN (C(=O)O2)c3ccc(c(F)c3)c4ccc(nc4)c5nnn(C) n5 |
~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide |
| 43418 |  UH1 |
1 | C14 H11 N3 O | InChI=1S/C14H11N3O/c15-9- 12-4-1-3-11(7-12)8-14(18) 17-13-5-2-6-16-10-13/h1-7 ,10H,8H2,(H,17,18); DSTLUTUEFNLBST-UHFFFAOYSA-N |
c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2; O=C(Cc1c ccc(c1)C#N)Nc2cccnc2; N(C(Cc1cc(ccc1)C#N )=O)c2cccnc2 |
2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide |
| 43419 |  UH2 |
2 | C24 H25 N7 O5 S | InChI=1S/C24H25N7O5S/c25- 13(24(34)35)7-8-37-10-16- 19(32)20(33)23(36-16)31-9 -12(18-21(26)27-11-28-22( 18)31)5-6-17-29-14-3-1-2- 4-15(14)30-17/h1-4,9,11,1 3,16,19-20,23,32-33H,7-8, 10,25H2,(H,29,30)(H,34,35 )(H2,26,27,28)/t13-,16+,1 9+,20+,23+/m0/s1; PYEFDSOFRINBSR-IMYLTZEYSA-N |
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc( C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O; c1ccc2c(c1)[nH]c(n2)C#Cc3cn(c4c3c(ncn4) N)[C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H ](C(=O)O)N)O)O; c1ccc2c(c1)[nH]c(n2)C#Cc 3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O )N)O)O; N[C@@H](CCSC[C@H]1O[C@H]([C@H](O )[C@@H]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N )ncnc25)C(O)=O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 43420 |  UH3 |
1 | C14 H12 N4 O2 | InChI=1S/C14H12N4O2/c1-7- 12(17-6-16-7)5-10-9-4-8(1 3(15)19)2-3-11(9)18-14(10 )20/h2-6H,1H3,(H2,15,19)( H,16,17)(H,18,20); NQRCNELXESTXEP-UHFFFAOYSA-N |
Cc1nc[nH]c1\C=C2/C(=O)Nc3ccc(cc23)C(N)=O ; Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O ; Cc1c([nH]cn1)/C=C\2/c3cc(ccc3NC2=O)C(= O)N; Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(= O)N |
(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide |
| 43421 |  UH4 |
1 | C11 H11 N3 O S | InChI=1S/C11H11N3OS/c1-8- 4-5-10(16-8)14-11(15)13-9 -3-2-6-12-7-9/h2-7H,1H3,( H2,13,14,15); OCXJDZBTSLHCNX-UHFFFAOYSA-N |
Cc1ccc(s1)NC(=O)Nc2cccnc2; N(C(Nc1ccc(s1 )C)=O)c2cccnc2; Cc1sc(NC(=O)Nc2cccnc2)cc 1 |
N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea |
| 43422 |  UH5 |
1 | C17 H24 N4 O5 | InChI=1S/C17H24N4O5/c18-7 -4-8-25-17-14(16(24)15(23 )13(10-22)26-17)21-9-12(1 9-20-21)11-5-2-1-3-6-11/h 1-3,5-6,9,13-17,22-24H,4, 7-8,10,18H2/t13-,14+,15-, 16-,17+/m1/s1; XCUIOLRELJNONY-JJTUDDRGSA-N |
c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCCCN)CO)O )O; c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H ]([C@H](O[C@@H]3OCCCN)CO)O)O; NCCCO[CH]1 O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3c cccc3; NCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@ H](O)[C@@H]1n2cc(nn2)c3ccccc3 |
3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside; (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol |
| 43423 |  UH6 |
0 | C58 H90 F N9 O15 S | InChI=1S/C58H90FN9O15S/c1 -15-44-58(10,76)49(71)35( 6)66(12)28-31(2)24-56(8,7 5)51(33(4)48(34(5)53(73)8 1-44)82-46-25-57(9,77-14) 50(72)36(7)79-46)83-54-47 (70)43(22-32(3)78-54)65(1 1)20-21-84-30-45(69)61-27 -39-29-68(55(74)80-39)38- 17-18-40(41(59)23-38)37-1 6-19-42(60-26-37)52-62-64 -67(13)63-52/h16-19,23,26 ,31-36,39,43-44,46-51,54, 70-72,75-76H,15,20-22,24- 25,27-30H2,1-14H3,(H,61,6 9)/t31-,32-,33+,34-,35-,3 6+,39+,43+,44-,46+,47-,48 +,49-,50+,51-,54+,56-,57- ,58-/m1/s1; QIHLNARXTPPOEY-KOXYHZPISA-N |
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[ C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C )O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C CSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F) c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[ C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[ C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N (C)CCSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F )c5)c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@ H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC [CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC) [CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH] (C)C[CH]([CH]3O)N(C)CCSCC(=O)NC[CH]4CN(C (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7 )[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C] 1(C)O; Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1 CC(OC1=O)CNC(=O)CSCCN(C)C1CC(C)OC(OC2C(C )C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC )C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O; CC C1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC( C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC SCC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc (nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O |
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
| 43424 |  UH7 CHEMBL4785977 |
1 | C14 H13 Cl N2 O | InChI=1S/C14H13ClN2O/c1-1 0-5-6-16-9-13(10)17-14(18 )8-11-3-2-4-12(15)7-11/h2 -7,9H,8H2,1H3,(H,17,18); ZROFBWFSOGSOQG-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)Cl; Cc1ccncc1N C(=O)Cc2cccc(Cl)c2; N(C(Cc1cccc(c1)Cl)=O )c2cnccc2C |
2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 43425 |  UH8 |
1 | C14 H18 N4 O5 | InChI=1S/C14H18N4O5/c1-22 -14-11(13(21)12(20)10(7-1 9)23-14)18-6-9(16-17-18)8 -3-2-4-15-5-8/h2-6,10-14, 19-21H,7H2,1H3/t10-,11+,1 2-,13-,14+/m1/s1; GWSVVXWGZNVVOP-ITGHMWBKSA-N |
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H ]1n2cc(nn2)c3cccnc3; COC1C(C(C(C(O1)CO)O )O)n2cc(nn2)c3cccnc3; CO[C@@H]1[C@H]([C@ H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3ccc nc3; CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 n2cc(nn2)c3cccnc3 |
Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside; (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol |
| 43426 |  UH9 |
1 | C16 H15 F3 N O5 P | InChI=1S/C16H15F3NO5P/c17 -12-5-3-4-11(8-12)16(18,1 9)10-20-15(21)9-25-13-6-1 -2-7-14(13)26(22,23)24/h1 -8H,9-10H2,(H,20,21)(H2,2 2,23,24); CWLSIOCFRIMBMV-UHFFFAOYSA-N |
c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P (=O)(O)O; O[P](O)(=O)c1ccccc1OCC(=O)NCC( F)(F)c2cccc(F)c2 |
[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
| 43427 |  UHA |
1 | C15 H15 Cl N2 O | InChI=1S/C15H15ClN2O/c1-1 0-6-7-17-9-14(10)18-15(19 )11(2)12-4-3-5-13(16)8-12 /h3-9,11H,1-2H3,(H,18,19) /t11-/m1/s1; WNGGAWMEODUSED-LLVKDONJSA-N |
C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; n1cc c(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O; Cc1ccnc c1NC(=O)[C@H](C)c2cccc(c2)Cl; Cc1ccncc1N C(=O)C(C)c2cccc(c2)Cl; C[C@@H](C(=O)Nc1c nccc1C)c2cccc(Cl)c2 |
(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 43428 |  UHB CHEMBL1173120 |
26 | C24 H27 N9 O6 | InChI=1S/C24H25N9O6/c25-2 0-16-21(28-10-27-20)33(11 -29-16)24-18(36)17(35)19( 39-24)23(38)32-6-4-31(5-7 -32)9-15(34)30-14-3-1-2-1 2-13(14)8-26-22(12)37/h1- 3,8,10-11,17-19,24,35-36H ,4-7,9H2,(H,26,37)(H2,25, 27,28)/b30-14-/t17-,18+,1 9-,24+/m0/s1; QEUOCRGVJJDDTK-VBFAUCSFSA-N |
c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H] 4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O) O)CNC2=O; Nc1ncnc2n(cnc12)[CH]3O[CH]([CH ](O)[CH]3O)C(=O)N4CCN(CC4)CC(=O)Nc5cccc6 C(=O)NCc56; Nc1ncnc2n(cnc12)[C@@H]3O[C@@ H]([C@@H](O)[C@H]3O)C(=O)N4CCN(CC4)CC(=O )Nc5cccc6C(=O)NCc56; c1cc2c(c(c1)NC(=O)C N3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N )O)O)CNC2=O; O=C6C5=CC=C/C(=N/C(=O)CN4CC N(C(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC4 )C5=CN6 |
2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide |
| 43429 |  UHC |
3 | C19 H35 N2 O9 P S | InChI=1S/C19H35N2O9PS/c1- 4-5-6-7-14(22)12-16(24)32 -11-10-20-15(23)8-9-21-18 (26)17(25)19(2,3)13-30-31 (27,28)29/h17,25H,4-13H2, 1-3H3,(H,20,23)(H,21,26)( H2,27,28,29)/t17-/m1/s1; HGKMRNVHDOTSFB-QGZVFWFLSA-N |
CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C (C)(C)COP(=O)(O)O)O; CCCCCC(=O)CC(=O)SCC NC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CC CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C( C)(C)CO[P](O)(O)=O; CCCCCC(=O)CC(=O)SCCN C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O) =O |
~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate |
| 43430 |  UHD DB04799 ZINC000014881301 |
1 | C18 H25 N O3 S | InChI=1S/C18H25NO3S/c1-2- 3-4-5-6-7-8-9-10-11-13-15 (20)14-18(23-12-19-14)17( 22)16(13)21/h12,21H,2-11H 2,1H3; QCWGBMWYLYKEIU-UHFFFAOYSA-N |
O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC; CCCC CCCCCCCC1=C(O)C(=O)c2scnc2C1=O; CCCCCCCC CCCC1=C(C(=O)c2c(ncs2)C1=O)O |
6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE; 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; UHDBT |
| 43431 |  UHE |
1 | C13 H19 N O2 S | InChI=1S/C13H19NO2S/c1-9( 2)8-12(17)13(15)14-10-4-6 -11(16-3)7-5-10/h4-7,9,12 ,17H,8H2,1-3H3,(H,14,15)/ t12-/m0/s1; HDLRYABNVVOQJO-LBPRGKRZSA-N |
CC(C)CC(C(=O)Nc1ccc(cc1)OC)S; CC(C)C[C@@ H](C(=O)Nc1ccc(cc1)OC)S; COc1ccc(NC(=O)[ CH](S)CC(C)C)cc1; COc1ccc(NC(=O)[C@@H](S )CC(C)C)cc1 |
(S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide; (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
| 43432 |  UHF ZINC000034886883 |
1 | C19 H30 N4 O4 | InChI=1S/C19H30N4O4/c1-5- 6-7-15(11-23(27)12-24)18( 25)17(13(2)3)22-19(26)21- 16-9-8-14(4)10-20-16/h8-1 0,12-13,15,17,27H,5-7,11H 2,1-4H3,(H2,20,21,22,26)/ t15-,17+/m1/s1; AMPUUHFRILVRDV-WBVHZDCISA-N |
CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc (cn1)C; O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC) CN(O)C=O)C(C)C; CCCC[CH](CN(O)C=O)C(=O)[ CH](NC(=O)Nc1ccc(C)cn1)C(C)C; CCCC[C@H]( CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c n1)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC( =O)Nc1ccc(C)cn1)C(C)C |
N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide |
| 43433 |  UHG CHEMBL2171250 ZINC000001869694 |
1 | C15 H12 Cl N O2 | InChI=1S/C15H12ClNO2/c1-8 (15(18)19)9-2-4-11-12-7-1 0(16)3-5-13(12)17-14(11)6 -9/h2-8,17H,1H3,(H,18,19) /t8-/m1/s1; PUXBGTOOZJQSKH-MRVPVSSYSA-N |
C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23 )c1; C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)c c23)c1; CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C( =O)O; C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl) C(=O)O; c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)= O |
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
| 43434 |  UHH |
1 | C24 H39 N O4 | InChI=1S/C24H39NO4/c1-13( 4-7-21(25)29)16-5-6-17-22 -18(12-20(28)24(16,17)3)2 3(2)9-8-15(26)10-14(23)11 -19(22)27/h8-9,13-20,22,2 6-28H,4-7,10-12H2,1-3H3,( H2,25,29)/t13-,14+,15-,16 -,17+,18+,19-,20+,22+,23+ ,24-/m1/s1; FMNKZHQYXMWDCG-OELDTZBJSA-N |
C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H]( C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@ H](C4)O)C)O)O)C; C[CH](CCC(N)=O)[CH]1CC[ CH]2[CH]3[CH](O)C[CH]4C[CH](O)C=C[C]4(C) [CH]3C[CH](O)[C]12C; CC(CCC(=O)N)C1CCC2C 1(C(CC3C2C(CC4C3(C=CC(C4)O)C)O)O)C; O=C( N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O )C23C)C; C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[ C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C=C[C@]4( C)[C@H]3C[C@H](O)[C@]12C |
(3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE |
| 43435 |  UHI CHEMBL4650366 |
1 | C21 H21 N O4 S | InChI=1S/C21H21NO4S/c1-22 -12-19(16-5-3-4-6-17(16)2 1(22)23)18-11-15(27(2,24) 25)9-10-20(18)26-13-14-7- 8-14/h3-6,9-12,14H,7-8,13 H2,1-2H3; UWZAJPITKGWMFJ-UHFFFAOYSA-N |
CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c( OCC2CC2)cc1; CN1C=C(c2ccccc2C1=O)c3cc(cc c3OCC4CC4)[S](C)(=O)=O; CN1C=C(c2ccccc2C 1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C |
(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one; Trotabresib |
| 43436 |  UHJ CHEMBL4436648 |
2 | C16 H14 N4 O3 S2 | InChI=1S/C16H14N4O3S2/c1- 25(22,23)20-13-4-2-11(3-5 -13)12-6-10(8-18-9-12)7-1 4-15(21)19-16(17)24-14/h2 -9,20H,1H3,(H2,17,19,21)/ b14-7-; AGHDPPGOJJYURV-AUWJEWJLSA-N |
CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C (S3)=N)(=O)=O; [H]/N=C/1\NC(=O)/C(=C/c2c c(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1; C[S](= O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O) c2; C[S](=O)(=O)Nc1ccc(cc1)c2cncc(/C=C/3 SC(=N)NC/3=O)c2; CS(=O)(=O)Nc1ccc(cc1)c2 cc(cnc2)C=C3C(=O)NC(=N)S3 |
N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
| 43437 |  UHK |
2 | C13 H19 N O S | InChI=1S/C13H19NOS/c1-9(2 )8-12(16)13(15)14-11-6-4- 10(3)5-7-11/h4-7,9,12,16H ,8H2,1-3H3,(H,14,15)/t12- /m0/s1; BYBVNNWQUAPBOD-LBPRGKRZSA-N |
Cc1ccc(cc1)NC(=O)C(CC(C)C)S; CC(C)C[C@H] (S)C(=O)Nc1ccc(C)cc1; Cc1ccc(cc1)NC(=O)[ C@H](CC(C)C)S; CC(C)C[CH](S)C(=O)Nc1ccc( C)cc1 |
(S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide; (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
| 43438 |  UHL ZINC000043830626 |
6 | C5 H9 N3 O2 | InChI=1S/C5H9N3O2/c1-9-3- 2-4-7-8-5(6)10-4/h2-3H2,1 H3,(H2,6,8); NOHAGGWBLILEEG-UHFFFAOYSA-N |
COCCc1nnc(o1)N; COCCc1oc(N)nn1 | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine |
| 43439 |  UHM |
1 | C13 H11 N3 O2 S | InChI=1S/C13H11N3O2S/c14- 5-6-18-12-4-2-1-3-11(12)1 3(17)15-7-10-8-16-19-9-10 /h1-4,8-9H,6-7H2,(H,15,17 ); PZOXHLAZHKNFDQ-UHFFFAOYSA-N |
n2scc(CNC(c1c(OCC#N)cccc1)=O)c2; c1ccc(c (c1)C(=O)NCc2cnsc2)OCC#N; O=C(NCc1csnc1) c2ccccc2OCC#N |
2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide |
| 43440 |  UHN |
1 | C16 H22 N2 O3 S | InChI=1S/C16H22N2O3S/c19- 13-14-3-5-16(6-4-14)22(20 ,21)18-11-7-15(8-12-18)17 -9-1-2-10-17/h3-6,13,15H, 1-2,7-12H2; OBIKKFYXQXDQPX-UHFFFAOYSA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3; O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCC C3 |
4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde |
| 43441 |  UHO CHEMBL5569060 |
2 | C23 H25 N3 O6 S2 | InChI=1S/C23H25N3O6S2/c24 -33(29,30)21-11-9-18(10-1 2-21)13-14-26(34(31,32)22 -7-2-1-3-8-22)17-19-5-4-6 -20(15-19)25-16-23(27)28/ h1-12,15,25H,13-14,16-17H 2,(H,27,28)(H2,24,29,30); PXERSONYQKALBK-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c 2)[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(= O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c 3)NCC(=O)O |
2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid |
| 43442 |  UHP |
0 | C51 H85 N7 O17 | InChI=1S/C51H85N7O17/c1-1 4-38-51(10,67)44(63)31(6) 55(11)22-27(2)20-49(8,66) 46(29(4)43(30(5)47(65)73- 38)74-40-21-50(9,70-13)45 (64)32(7)72-40)75-48-42(6 2)37(19-28(3)71-48)56(12) 23-34-24-57(54-53-34)25-3 9(60)52-36(26-59)41(61)33 -15-17-35(18-16-33)58(68) 69/h15-18,24,27-32,36-38, 40-46,48,59,61-64,66-67H, 14,19-23,25-26H2,1-13H3,( H,52,60)/t27-,28-,29+,30- ,31-,32+,36-,37+,38-,40+, 41-,42-,43+,44-,45+,46-,4 8+,49-,50-,51-/m1/s1; CFLQVSVZEFCGKJ-DBMBZOQASA-N |
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C) Cc4cn(nn4)CC(=O)NC(CO)C(c5ccc(cc5)[N+](= O)[O-])O)O)(C)O)C)C)C)O)(C)O; CC[C@H]1OC (=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[ C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H ]3O[C@H](C)C[C@@H]([C@H]3O)N(C)Cc4cn(CC( =O)N[C@H](CO)[C@H](O)c5ccc(cc5)[N+]([O-] )=O)nn4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C )[C@@H](O)[C@]1(C)O; CC[CH]1OC(=O)[CH](C )[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2) [CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N (C)Cc4cn(CC(=O)N[CH](CO)[CH](O)c5ccc(cc5 )[N+]([O-])=O)nn4)[C](C)(O)C[CH](C)CN(C) [CH](C)[CH](O)[C]1(C)O; [O-][N+](=O)c1cc c(cc1)C(O)C(CO)NC(=O)Cn1cc(nn1)CN(C)C1CC (C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C( C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2 (C)O)C1O; CC[C@@H]1[C@@]([C@@H]([C@H](N( C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H] (C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2 )C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H]( O3)C)N(C)Cc4cn(nn4)CC(=O)N[C@H](CO)[C@@H ](c5ccc(cc5)[N+](=O)[O-])O)O)(C)O)C)C)C) O)(C)O |
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
| 43443 |  UHQ |
1 | C14 H20 N2 O3 S | InChI=1S/C14H20N2O3S/c1-1 5(2)13-7-9-16(10-8-13)20( 18,19)14-5-3-12(11-17)4-6 -14/h3-6,11,13H,7-10H2,1- 2H3; ULLUZZQSRUXOKA-UHFFFAOYSA-N |
CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; C N(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
| 43444 |  UHR ZINC000005133888 |
2 | C6 H13 N O | InChI=1S/C6H13NO/c7-5-6-3 -1-2-4-8-6/h6H,1-5,7H2/t6 -/m1/s1; NYGCBQKDTGBHSC-ZCFIWIBFSA-N |
C1CCO[C@H](C1)CN; NC[CH]1CCCCO1; C1CCOC( C1)CN; NC[C@H]1CCCCO1 |
[(2R)-oxan-2-yl]methanamine |
| 43445 |  UHS |
1 | C21 H30 N4 O3 | InChI=1S/C21H30N4O3/c1-8- 17(26)25(16-12-15(28-24-1 6)20(2,3)4)18(14-10-9-11- 22-13-14)19(27)23-21(5,6) 7/h9-13,18H,8H2,1-7H3,(H, 23,27)/t18-/m1/s1; BFKJCDNTNNMOGO-GOSISDBHSA-N |
CCC(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccnc1) c2cc(on2)C(C)(C)C; CCC(=O)N([CH](C(=O)NC (C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C; CCC( =O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C( =O)NC(C)(C)C; N(C(C)(C)C)C(=O)C(N(c1noc( C(C)(C)C)c1)C(=O)CC)c2cnccc2; CCC(=O)N(c 1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C )C |
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide |
| 43446 |  UHT |
1 | C14 H19 N O3 S | InChI=1S/C14H19NO3S/c1-15 (13-5-3-2-4-6-13)19(17,18 )14-9-7-12(11-16)8-10-14/ h7-11,13H,2-6H2,1H3; WNAONUSEYNPQAW-UHFFFAOYSA-N |
CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O; CN(C 1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2 |
~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide |
| 43447 |  UHU |
1 | C6 H11 N O3 | InChI=1S/C6H11NO3/c8-1-2- 3-4(7-3)6(10)5(2)9/h2-10H ,1H2/t2-,3+,4+,5+,6+/m1/s 1; SXRBQPPVANNBHT-URLGYRAOSA-N |
C([C@@H]1[C@H]2[C@H](N2)[C@@H]([C@H]1O)O )O; OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12; O C[C@H]1[C@H](O)[C@@H](O)[C@H]2N[C@@H]12; C(C1C2C(N2)C(C1O)O)O |
(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
| 43448 |  UHV |
2 | C25 H30 N4 O4 | InChI=1S/C25H30N4O4/c1-7- 22(30)29(21-14-20(33-28-2 1)25(3,4)5)23(17-9-8-12-2 6-15-17)24(31)27-19-11-10 -18(32-6)13-16(19)2/h8-15 ,23H,7H2,1-6H3,(H,27,31)/ t23-/m1/s1; UCJCNZJAAQBBMU-HSZRJFAPSA-N |
CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccn c2)c3cc(on3)C(C)(C)C; N(c1c(cc(cc1)OC)C) C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O )CC; CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2 cccnc2)C(=O)Nc3ccc(cc3C)OC; CCC(=O)N([C@ @H](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on 3)C(C)(C)C; CCC(=O)N(c1cc(on1)C(C)(C)C)C (c2cccnc2)C(=O)Nc3ccc(cc3C)OC |
N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
| 43449 |  UHW ZINC000072206381 |
1 | C12 H16 N2 O3 S | InChI=1S/C12H16N2O3S/c1-1 3-6-8-14(9-7-13)18(16,17) 12-4-2-11(10-15)3-5-12/h2 -5,10H,6-9H2,1H3; YIEAFXUNUVTOQC-UHFFFAOYSA-N |
CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2; CN1 CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
| 43450 |  UHX CHEMBL3318911 ZINC000222801218 |
4 | C19 H16 F N5 O | InChI=1S/C19H16FN5O/c1-26 -13-8-4-10(5-9-13)14-15-1 7(21)24-19(22)25-18(15)23 -16(14)11-2-6-12(20)7-3-1 1/h2-9H,1H3,(H5,21,22,23, 24,25); MTCWKPIXTKCOED-UHFFFAOYSA-N |
COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4) F)N)N; COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c 23)c4ccc(F)cc4; Fc4ccc(c2c(c1c(nc(nc1n2) N)N)c3ccc(OC)cc3)cc4 |
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| 43451 |  UHY |
1 | C27 H32 N4 O2 | InChI=1S/C27H32N4O2/c1-6- 20-11-8-10-19(5)25(20)30- 27(33)26(21-12-9-15-28-16 -21)31(24(32)7-2)22-13-14 -23(18(3)4)29-17-22/h8-18 ,26H,6-7H2,1-5H3,(H,30,33 )/t26-/m1/s1; HPKVUDPRFZVZGF-AREMUKBSSA-N |
CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc (nc3)C(C)C)C(=O)CC)C; CCc1cccc(c1NC(=O)C (c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C; C CC(=O)N([C@@H](C(=O)Nc1c(C)cccc1CC)c2ccc nc2)c3ccc(nc3)C(C)C; CCC(=O)N([CH](C(=O) Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C; N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc 2)C(CC)=O)c3cnccc3 |
N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide |
| 43452 |  UHZ |
1 | C8 H7 N O6 S | InChI=1S/C8H7NO6S/c1-16(1 3,14)15-8-4-6(5-10)2-3-7( 8)9(11)12/h2-5H,1H3; RCBIWLRDSYSENV-UHFFFAOYSA-N |
CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O; C[ S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
(5-methanoyl-2-nitro-phenyl) methanesulfonate |
| 43453 |  UI0 |
0 | C40 H46 F N5 O8 | InChI=1S/C40H46FN5O8/c1-4 -9-27-14-15-35(48)42-16-7 -10-25(2)18-31(47)20-30(4 1)21-36-44-32(24-52-36)38 (49)46-17-8-13-33(46)39(5 0)54-37(27)26(3)23-53-40( 51)45-34-19-28-11-5-6-12- 29(28)22-43-34/h4-7,10-12 ,14-15,18-19,22,24,26-27, 30-31,33,37,47H,1,8-9,13, 16-17,20-21,23H2,2-3H3,(H ,42,48)(H,43,45,51)/b10-7 +,15-14+,25-18+/t26-,27-, 30-,31-,33-,37-/m1/s1; DSEOAUQIAHJNDH-LTEKMTOYSA-N |
C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(= O)[C@H]4CCCN4C(=O)c5coc(C[C@H](F)C[C@H]( O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3CC=C)n5; CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC (C(C=CC(=O)NCC=C1)CC=C)C(C)COC(=O)Nc4cc5 ccccc5cn4)F)O; CC(COC(=O)Nc1cc2ccccc2cn1 )C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O) C=C(C)C=CCNC(=O)C=CC1CC=C; C[CH](COC(=O) Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(= O)c5coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O) C=C[CH]3CC=C)n5; C/C/1=C\[C@H](C[C@H](Cc 2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C @@H](/C=C/C(=O)NC\C=C1)CC=C)[C@H](C)COC( =O)Nc4cc5ccccc5cn4)F)O |
(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
| 43454 |  UI1 CHEMBL104166 DB03082 ZINC000005940890 |
1 | C23 H21 N7 O | InChI=1S/C23H21N7O/c24-13 -14-2-6-18(7-3-14)29-22(3 1)17-10-15-4-5-16(21(25)2 6)11-19(15)20(12-17)30-23 -27-8-1-9-28-23/h1-12H,13 ,24H2,(H3,25,26)(H,29,31) (H,27,28,30); CSWQJKHBMACTGB-UHFFFAOYSA-N |
c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O) Nc4ccc(cc4)CN; NCc1ccc(NC(=O)c2cc(Nc3ncc cn3)c4cc(ccc4c2)C(N)=N)cc1; NCc1ccc(cc1) NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N |
6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE |
| 43455 |  UI2 CHEMBL103043 DB04059 ZINC000005933825 |
1 | C15 H13 N5 | InChI=1S/C15H13N5/c16-14( 17)11-6-5-10-3-1-4-13(12( 10)9-11)20-15-18-7-2-8-19 -15/h1-9H,(H3,16,17)(H,18 ,19,20); GRQLDCHTDNYVQI-UHFFFAOYSA-N |
c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N; NC(=N )c1ccc2cccc(Nc3ncccn3)c2c1; n1cccnc1Nc2c ccc3c2cc(C(=[N@H])N)cc3 |
8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE |
| 43456 |  UI3 CHEMBL321944 DB03046 ZINC000012503001 |
2 | C16 H16 N4 O3 S | InChI=1S/C16H16N4O3S/c1-2 3-14-6-5-10-3-4-11(16(17) 18)7-13(10)15(14)12-8-19- 20(9-12)24(2,21)22/h3-9H, 1-2H3,(H3,17,18); KQUXAFOLFXHVQN-UHFFFAOYSA-N |
COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C (N)=N; O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(= [N@H])N)cc2)c3)C; [H]/N=C(/c1ccc2ccc(c(c 2c1)c3cnn(c3)S(=O)(=O)C)OC)\N; [H]N=C(c1 ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N |
7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE |
| 43457 |  UI4 ZINC000005940833 |
8 | C11 H9 N O | InChI=1S/C11H9NO/c13-10-6 -4-9(5-7-10)11-3-1-2-8-12 -11/h1-8,13H; VQHMPVXKDCHHSR-UHFFFAOYSA-N |
Oc1ccc(cc1)c2ccccn2; c1ccnc(c1)c2ccc(cc2 )O |
4-pyridin-2-ylphenol |
| 43458 |  UI5 |
2 | C6 H13 N O3 | InChI=1S/C6H13NO3/c7-4-1- 5(9)6(10)3(4)2-8/h3-6,8-1 0H,1-2,7H2/t3-,4-,5+,6+/m 1/s1; XJKPQBOZNVQXOP-ZXXMMSQZSA-N |
C1C(C(C(C1O)O)CO)N; N[CH]1C[CH](O)[CH](O )[CH]1CO; N[C@@H]1C[C@H](O)[C@@H](O)[C@@ H]1CO; C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO )N |
(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
| 43459 |  UI6 |
0 | C56 H86 F N9 O15 | InChI=1S/C56H86FN9O15/c1- 15-42-56(10,74)47(69)33(6 )63(11)26-29(2)22-54(8,73 )49(31(4)46(32(5)51(71)79 -42)80-44-23-55(9,75-14)4 8(70)34(7)77-44)81-52-45( 68)41(20-30(3)76-52)64(12 )28-43(67)59-25-37-27-66( 53(72)78-37)36-17-18-38(3 9(57)21-36)35-16-19-40(58 -24-35)50-60-62-65(13)61- 50/h16-19,21,24,29-34,37, 41-42,44-49,52,68-70,73-7 4H,15,20,22-23,25-28H2,1- 14H3,(H,59,67)/t29-,30-,3 1+,32-,33-,34+,37+,41+,42 -,44+,45-,46+,47-,48+,49- ,52+,54-,55-,56-/m1/s1; CCCPNDPSMZJBSW-DALIEQGVSA-N |
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C) CC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc( nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; CC[C H]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[C H](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C )C[CH]([CH]3O)N(C)CC(=O)NC[CH]4CN(C(=O)O 4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7)[C]( C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[ C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[ C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N (C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F)c5 )c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@H]( C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC[C@ @H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]( [C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@ H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[ C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC(=O) NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc 6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; Cn1nc( nn1)c1ccc(cn1)c1ccc(cc1F)N1CC(OC1=O)CNC( =O)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C (O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C) N(C)CC(C)CC2(C)O)C1O |
2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name) |
| 43460 |  UI7 ZINC000001730696 |
10 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-7(12 )10-9-4-2-3-8(5-9)6-11/h2 -5,11H,6H2,1H3,(H,10,12); WIXYDGUCWPQDPW-UHFFFAOYSA-N |
CC(=O)Nc1cccc(c1)CO; CC(=O)Nc1cccc(CO)c1 | N-[3-(hydroxymethyl)phenyl]ethanamide |
| 43461 |  UI8 |
1 | C14 H12 B N2 O | InChI=1S/C14H12BN2O/c18-1 5-13-7-3-1-6-12(13)10-17( 15)14-8-4-2-5-11(14)9-16- 15/h1-9,18H,10H2; UCHLFALBLFGNQN-UHFFFAOYSA-N |
B12(c3ccccc3CN1c4ccccc4C=N2)O; O[B]12N=C c3ccccc3N1Cc4ccccc24 |
7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine |
| 43462 |  UI9 |
0 | C19 H17 Cl F N7 O3 | InChI=1S/C19H17ClFN7O3/c1 -27-25-18(24-26-27)16-5-2 -11(8-22-16)14-4-3-12(6-1 5(14)21)28-10-13(31-19(28 )30)9-23-17(29)7-20/h2-6, 8,13H,7,9-10H2,1H3,(H,23, 29)/t13-/m0/s1; VVZVMIYJLRPJQL-ZDUSSCGKSA-N |
Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4= O)CNC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc( cc3F)N4C[C@H](CNC(=O)CCl)OC4=O; Cn1nc(nn 1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)C NC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3 F)N4C[CH](CNC(=O)CCl)OC4=O; O=C(NCC1CN(C (=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1 )CCl |
2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
| 43463 |  UIA |
0 | C4 H10 N2 O2 | InChI=1S/C4H10N2O2/c1-3(2 -5)6-4(7)8/h3,6H,2,5H2,1H 3,(H,7,8)/t3-/m1/s1; ZHWWPRBSUHITHG-GSVOUGTGSA-N |
CC(CN)NC(=O)O; C[C@H](CN)NC(=O)O; C[C@H] (CN)NC(O)=O; C[CH](CN)NC(O)=O |
[(2~{R})-1-azanylpropan-2-yl]carbamic acid |
| 43464 |  UIB ZINC000003832147 |
2 | C26 H32 N4 O3 | InChI=1S/C26H32N4O3/c1-5- 18-22-21(25(31)30(18)13-1 5-6-11-19-20(12-15)33-14- 32-19)23(29(4)26(22,2)3)1 6-7-9-17(10-8-16)24(27)28 /h6-12,18,21-23H,5,13-14H 2,1-4H3,(H3,27,28)/t18-,2 1+,22-,23+/m1/s1; HQVPEQYGMUJQHM-MSYGRNIXSA-N |
CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C) C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4) OCO5; CCC1C2C(C(N(C2(C)C)C)c3ccc(cc3)C(= N)N)C(=O)N1Cc4ccc5c(c4)OCO5; CC[CH]1[CH] 2[CH]([CH](N(C)C2(C)C)c3ccc(cc3)C(N)=N)C (=O)N1Cc4ccc5OCOc5c4; CC[C@@H]1[C@@H]2[C @@H]([C@@H](N(C)C2(C)C)c3ccc(cc3)C(N)=N) C(=O)N1Cc4ccc5OCOc5c4; O=C1N(C(CC)C3C1C( c2ccc(C(=[N@H])N)cc2)N(C)C3(C)C)Cc4ccc5O COc5c4 |
(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE |
| 43465 |  UIC CHEMBL254349 |
0 | C29 H40 N2 O7 S | InChI=1/C29H40N2O7S/c1-20 (2)17-31(39(35,36)25-10-8 -22(19-32)9-11-25)18-27(3 3)26(14-21-6-4-3-5-7-21)3 0-29(34)38-24-15-23-12-13 -37-28(23)16-24/h3-11,20, 23-24,26-28,32-33H,12-19H 2,1-2H3,(H,30,34)/t23-,24 +,26-,27+,28+/m0/s1/f/h30 H; VYBDPVQMILRSMK-OOSHRCTGDC |
CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO) cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H]( Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1 ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc( cc4)CO |
(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE |
| 43466 |  UID ZINC000000157063 |
8 | C11 H13 N O2 | InChI=1S/C11H13NO2/c1-2-1 4-11(13)8-5-9-3-6-10(12)7 -4-9/h3-8H,2,12H2,1H3/b8- 5+; NRPMBSHHBFFYBF-VMPITWQZSA-N |
CCOC(=O)C=Cc1ccc(cc1)N; CCOC(=O)/C=C/c1c cc(cc1)N; CCOC(=O)C=Cc1ccc(N)cc1; CCOC(= O)\C=C\c1ccc(N)cc1 |
ethyl (E)-3-(4-aminophenyl)prop-2-enoate |
| 43467 |  UIE CHEMBL5593042 |
1 | C22 H23 N3 O6 S2 | InChI=1S/C22H23N3O6S2/c23 -32(28,29)20-11-9-17(10-1 2-20)15-25(33(30,31)21-7- 2-1-3-8-21)16-18-5-4-6-19 (13-18)24-14-22(26)27/h1- 13,24H,14-16H2,(H,26,27)( H2,23,28,29); BFBINAWAQBYZMQ-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2 )[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(=O )(=O)N(Cc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3) NCC(=O)O |
2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid |
| 43468 |  UIF |
0 | C40 H39 F N8 O8 | InChI=1S/C40H39FN8O8/c1-2 4-18-33(35(56-37(51)25-10 -6-4-7-11-25)39(54-24)57- 38(52)26-12-8-5-9-13-26)4 7(2)23-34(50)43-21-29-22- 49(40(53)55-29)28-15-16-3 0(31(41)19-28)27-14-17-32 (42-20-27)36-44-46-48(3)4 5-36/h4-17,19-20,24,29,33 ,35,39H,18,21-23H2,1-3H3, (H,43,50)/t24?,29-,33?,35 ?,39?/m0/s1; JILVZTUUGIPBMT-XQRKQDBVSA-N |
CC1CC(C(OC(=O)c2ccccc2)C(O1)OC(=O)c3cccc c3)N(C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c( F)c5)c6ccc(nc6)c7nnn(C)n7; CC1CC(C(C(O1) OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=O) NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7 nnn(n7)C; C[C@@H]1C[C@H]([C@@H]([C@@H](O 1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(= O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc( nc6)c7nnn(n7)C; CC1CC(C(OC(=O)c2ccccc2)C (O1)OC(=O)c3ccccc3)N(C)CC(=O)NC[CH]4CN(C (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7 ; O=C(OC1OC(C)CC(C1OC(=O)c1ccccc1)N(C)CC (=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c( F)c2)C(=O)O1)c1ccccc1 |
[(2~{S},3~{S},4~{R},6~{R})-4-[[2-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-2-(phenylcarbonyloxy)oxan-3-yl] benzoate |
| 43469 |  UIH CHEMBL3318913 ZINC000222801393 |
4 | C18 H14 Br N5 | InChI=1S/C18H14BrN5/c19-1 2-8-6-11(7-9-12)15-13(10- 4-2-1-3-5-10)14-16(20)23- 18(21)24-17(14)22-15/h1-9 H,(H5,20,21,22,23,24); BIHWLSDQBFEANX-UHFFFAOYSA-N |
Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc 4; Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4cc ccc4)n1; c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4c cc(cc4)Br)N)N |
6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| 43470 |  UII CHEMBL5572523 |
1 | C17 H21 N3 O6 S2 | InChI=1S/C17H21N3O6S2/c1- 27(23,24)20(11-13-5-7-16( 8-6-13)28(18,25)26)12-14- 3-2-4-15(9-14)19-10-17(21 )22/h2-9,19H,10-12H2,1H3, (H,21,22)(H2,18,25,26); IWLMYDRUZFJVAL-UHFFFAOYSA-N |
CS(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)N)Cc2ccc c(c2)NCC(=O)O; C[S](=O)(=O)N(Cc1ccc(cc1) [S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2 |
2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid |
| 43471 |  UIJ CHEMBL5400730 |
2 | C21 H31 N5 O7 | InChI=1S/C21H31N5O7/c1-13 -23-21(24-33-13)14-6-7-15 (16(10-14)26(31)32)22-8-4 -2-3-5-9-25-11-18(28)20(3 0)19(29)17(25)12-27/h6-7, 10,17-20,22,27-30H,2-5,8- 9,11-12H2,1H3/t17-,18+,19 -,20-/m1/s1; SXCQSQXLSZADIS-IYWMVGAKSA-N |
Cc1nc(no1)c2ccc(c(c2)[N+](=O)[O-])NCCCCC CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O; OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]( [O-])=O)c1nc(C)on1; Cc1nc(no1)c2ccc(c(c2 )[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O ; Cc1onc(n1)c2ccc(NCCCCCCN3C[C@H](O)[C@@ H](O)[C@H](O)[C@H]3CO)c(c2)[N+]([O-])=O; Cc1onc(n1)c2ccc(NCCCCCCN3C[CH](O)[CH](O )[CH](O)[CH]3CO)c(c2)[N+]([O-])=O |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol |
| 43472 |  UIK CHEMBL5406924 |
1 | C22 H22 N4 O | InChI=1S/C22H22N4O/c1-15- 4-3-5-17(10-15)12-26(2)22 -19-11-20(25-21(19)23-14- 24-22)18-8-6-16(13-27)7-9 -18/h3-11,14,27H,12-13H2, 1-2H3,(H,23,24,25); KXUSCHVJJBSONI-UHFFFAOYSA-N |
Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc( cc4)CO; CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc2 3)c4ccc(CO)cc4 |
[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol |
| 43473 |  UIL |
0 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c1-5(2 )3-6(4-8)9-7(10)11/h5-6,9 H,3-4,8H2,1-2H3,(H,10,11) /t6-/m1/s1; RJJBFDBMVBMWRB-ZCFIWIBFSA-N |
CC(C)C[C@H](CN)NC(O)=O; CC(C)C[C@H](CN)N C(=O)O; CC(C)C[CH](CN)NC(O)=O; CC(C)CC(C N)NC(=O)O |
[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid |
| 43474 |  UIM |
2 | C28 H27 N7 O2 | InChI=1S/C28H27N7O2/c1-16 (2)27(36)34-20-9-5-19(6-1 0-20)24-22(23-25(29)31-15 -32-26(23)35(24)4)18-7-11 -21(12-8-18)37-28-30-14-1 3-17(3)33-28/h5-16H,1-4H3 ,(H,34,36)(H2,29,31,32); PJTFDPCWAHARFB-UHFFFAOYSA-N |
CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C) c1ccc(Oc2nc(C)ccn2)cc1; Cc1ccnc(n1)Oc2cc c(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C )C)C)N; CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncn c(N)c3c2c4ccc(Oc5nccc(C)n5)cc4 |
N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide |
| 43475 |  UIN DB08686 ZINC000013741431 |
2 | C20 H24 O3 | InChI=1S/C20H24O3/c1-2-15 (14-10-6-5-7-11-14)18-19( 21)16-12-8-3-4-9-13-17(16 )23-20(18)22/h5-7,10-11,1 5,21H,2-4,8-9,12-13H2,1H3 /t15-/m0/s1; UXCLJNSXDNCIIT-HNNXBMFYSA-N |
CC[C@@H](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC 2=O; O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCC CC3; CCC(c1ccccc1)C2=C(C3=C(CCCCCC3)OC2= O)O; CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3 )OC2=O)O; CC[CH](c1ccccc1)C2=C(O)C3=C(CC CCCC3)OC2=O |
5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE |
| 43476 |  UIO CHEMBL5408976 |
2 | C26 H38 N6 O7 | InChI=1S/C26H38N6O7/c33-1 7-22-24(35)25(36)23(34)16 -31(22)10-4-2-1-3-8-27-20 -6-5-18(15-21(20)32(37)38 )19-7-9-28-26(29-19)30-11 -13-39-14-12-30/h5-7,9,15 ,22-25,27,33-36H,1-4,8,10 -14,16-17H2/t22-,23+,24-, 25-/m1/s1; IKJZFVDMSJZYQQ-ZFFYZDHPSA-N |
c1cc(c(cc1c2ccnc(n2)N3CCOCC3)[N+](=O)[O- ])NCCCCCCN4CC(C(C(C4CO)O)O)O; c1cc(c(cc1 c2ccnc(n2)N3CCOCC3)[N+](=O)[O-])NCCCCCCN 4C[C@@H]([C@H]([C@@H]([C@H]4CO)O)O)O; OC [C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC CCNc2ccc(cc2[N+]([O-])=O)c3ccnc(n3)N4CCO CC4; OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1 [N+]([O-])=O)c1nc(ncc1)N1CCOCC1; OC[CH]1 [CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2 [N+]([O-])=O)c3ccnc(n3)N4CCOCC4 |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol |
| 43477 |  UIP ZINC000003832151 |
2 | C26 H30 N4 O3 | InChI=1S/C26H30N4O3/c1-2- 18-22-19-4-3-11-29(19)24( 16-6-8-17(9-7-16)25(27)28 )23(22)26(31)30(18)13-15- 5-10-20-21(12-15)33-14-32 -20/h5-10,12,18-19,22-24H ,2-4,11,13-14H2,1H3,(H3,2 7,28)/t18-,19+,22+,23+,24 +/m1/s1; RCAUWWFTOCHSJH-KEXZDOINSA-N |
CCC1C2C3CCCN3C(C2C(=O)N1Cc4ccc5c(c4)OCO5 )c6ccc(cc6)C(=N)N; CC[CH]1[CH]2[CH]3CCCN 3[CH]([CH]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(c c6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCCN3[C @H]([C@H]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(cc 6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCC[N@@] 3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6c cc(cc6)C(=N)N; O=C1N(C(CC)C4C1C(c2ccc(C( =[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5 |
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE |
| 43478 |  UIQ ZINC000033836603 |
1 | C27 H32 N4 O3 | InChI=1S/C27H32N4O3/c1-15 (2)24-22-19-4-3-11-30(19) 25(17-6-8-18(9-7-17)26(28 )29)23(22)27(32)31(24)13- 16-5-10-20-21(12-16)34-14 -33-20/h5-10,12,15,19,22- 25H,3-4,11,13-14H2,1-2H3, (H3,28,29)/t19-,22-,23-,2 4+,25-/m0/s1; TZROHICTGLJYJF-FTSNLURZSA-N |
[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C @H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5) OCO6)C(C)C)\N; [H]N=C(c1ccc(cc1)C2C3C(C4 N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)N ; CC(C)[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(= O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; CC( C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C (=O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; O =C1N(C(C(C)C)C4C1C(c2ccc(C(=[N@H])N)cc2) N3CCCC34)Cc5ccc6OCOc6c5 |
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE |
| 43479 |  UIR ZINC000003832149 |
3 | C27 H30 N4 O3 | InChI=1S/C27H30N4O3/c28-2 6(29)18-8-6-17(7-9-18)25- 23-22(19-2-1-11-30(19)25) 24(16-4-5-16)31(27(23)32) 13-15-3-10-20-21(12-15)34 -14-33-20/h3,6-10,12,16,1 9,22-25H,1-2,4-5,11,13-14 H2,(H3,28,29)/t19-,22-,23 -,24+,25-/m0/s1; XYMBMAVAMICSMV-FTSNLURZSA-N |
c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2 CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7 )C(=N)N; c1cc(ccc1C2C3C(C4N2CCC4)C(N(C3= O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N; O=C2N(C (C1CC1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC 45)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2 [CH]3[CH]([CH]4CCCN24)[CH](C5CC5)N(Cc6cc c7OCOc7c6)C3=O; NC(=N)c1ccc(cc1)[C@H]2[C @@H]3[C@H]([C@@H]4CCCN24)[C@@H](C5CC5)N( Cc6ccc7OCOc7c6)C3=O |
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE |
| 43480 |  UIS ZINC000000163344 |
6 | C12 H18 N2 O | InChI=1S/C12H18N2O/c1-4-1 4(5-2)12-8-6-7-11(9-12)13 -10(3)15/h6-9H,4-5H2,1-3H 3,(H,13,15); FPUKYOSOAAPHTN-UHFFFAOYSA-N |
CCN(CC)c1cccc(c1)NC(=O)C; CCN(CC)c1cccc( NC(C)=O)c1 |
N-[3-(diethylamino)phenyl]ethanamide |
| 43481 |  UIT ZINC000002146644 |
1 | C8 H16 O3 | InChI=1S/C8H16O3/c1-2-3-4 -5-6-7(9)8(10)11/h7,9H,2- 6H2,1H3,(H,10,11)/t7-/m1/ s1; JKRDADVRIYVCCY-SSDOTTSWSA-N |
CCCCCC[CH](O)C(O)=O; CCCCCC[C@@H](O)C(O) =O; CCCCCCC(C(=O)O)O; CCCCCC[C@H](C(=O)O )O |
(2R)-2-oxidanyloctanoic acid |
| 43482 |  UIU |
0 | C59 H85 F N8 O14 S | InChI=1S/C59H85FN8O14S/c1 -14-46-59(9)49(35(4)47(71 )33(2)31-57(7,78-12)51(36 (5)50(73)58(8,60)55(76)80 -46)81-54-48(72)45(66(10) 11)28-34(3)79-54)68(56(77 )82-59)26-16-15-25-67-32- 44(64-65-67)39-18-17-19-4 0(30-39)62-52(74)42(24-27 -83-13)63-53(75)43(61-37( 6)69)29-38-20-22-41(70)23 -21-38/h17-23,30,32-36,42 -43,45-46,48-49,51,54,70, 72H,14-16,24-29,31H2,1-13 H3,(H,61,69)(H,62,74)(H,6 3,75)/t33-,34-,35+,36+,42 +,43+,45+,46-,48-,49-,51- ,54+,57-,58+,59-/m1/s1; OEYRSBHPKSARLY-KTBCHUDYSA-N |
Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O) Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(O C(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C) C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC; CC[CH] 1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O [CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C )C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc( NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6) NC(C)=O)c5)C(=O)O[C]13C)OC; CCC1C2(C(C(C (=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C( C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CC CCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O) C(Cc6ccc(cc6)O)NC(=O)C)C; CC[C@@H]1[C@@] 2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H] ([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[ C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C) C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O )[C@H](CCSC)NC(=O)[C@H](Cc6ccc(cc6)O)NC( =O)C)C; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C @H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C @H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H ](C)[C@H]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C @H](CCSC)NC(=O)[C@H](Cc6ccc(O)cc6)NC(C)= O)c5)C(=O)O[C@]13C)OC |
N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide; L-linker solithromycin conjugate |
| 43483 |  UIV |
1 | C13 H21 N3 O | InChI=1S/C13H21N3O/c1-15( 9-11-8-14-16(2)10-11)13(1 7)12-6-4-3-5-7-12/h8,10,1 2H,3-7,9H2,1-2H3; QLYNJXNZOYZGAX-UHFFFAOYSA-N |
Cn1cc(cn1)CN(C)C(=O)C2CCCCC2; Cn1cc(CN(C )C(=O)C2CCCCC2)cn1 |
~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide |
| 43484 |  UIW |
2 | C21 H18 Br F N4 O2 | InChI=1S/C21H18BrFN4O2/c1 -12-5-3-4-6-17(12)26-19-1 8(9-14(11-25-19)20(28)24- 2)27-21(29)13-7-15(22)10- 16(23)8-13/h3-11H,1-2H3,( H,24,28)(H,25,26)(H,27,29 ); CJLMSAJFQMAPAZ-UHFFFAOYSA-N |
Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc( cc(c3)Br)F; CNC(=O)c1cnc(Nc2ccccc2C)c(NC (=O)c3cc(F)cc(Br)c3)c1; Fc1cc(cc(Br)c1)C (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC |
5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
| 43485 |  UIX |
46 | C42 H58 O5 | InChI=1S/C42H58O5/c1-30(1 8-14-20-32(3)22-23-37-38( 6,7)28-36(46-34(5)43)29-4 0(37,10)45)16-12-13-17-31 (2)19-15-21-33(4)24-25-42 -39(8,9)26-35(44)27-41(42 ,11)47-42/h12-22,24-25,35 -36,44-45H,26-29H2,1-11H3 /b13-12+,18-14+,19-15+,25 -24+,30-16+,31-17+,32-20+ ,33-21+/t23-,35-,36-,40+, 41+,42-/m0/s1; PVNVIBOWBAPFOE-GYMZYDTCSA-N |
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C) O)OC(=O)C)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O 3)C)O)(C)C; C/C(=C\C=C\C=C(/C)\C=C\C=C(/ C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C) O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H] (CC3(C)C)O)C; CC(=O)O[CH]1CC(C)(C)[C](=[ C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C) C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O )C1; CC(=O)O[C@H]1CC(C)(C)[C](=[C@@]=[CH ]\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C )\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C) [C@](C)(O)C1 |
[(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate; Dinoxanthin |
| 43486 |  UIY CHEMBL5095208 DB17115 |
2 | C22 H24 N4 O3 | InChI=1S/C22H24N4O3/c1-3- 28-14-16-5-4-15(2)19(12-1 6)25-21-24-13-20(29-21)17 -6-8-18(9-7-17)26-11-10-2 3-22(26)27/h4-9,12-13H,3, 10-11,14H2,1-2H3,(H,23,27 )(H,24,25); ZBAFYGYLXHEICJ-UHFFFAOYSA-N |
CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC 4=O)c1; CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(c c3)N4CCNC4=O)C |
AB-8939; 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one |
| 43487 |  UIZ |
1 | C31 H32 N4 O3 | InChI=1S/C31H32N4O3/c32-3 0(33)22-11-9-21(10-12-22) 29-28-27(23-7-4-14-34(23) 29)24(15-19-5-2-1-3-6-19) 35(31(28)36)17-20-8-13-25 -26(16-20)38-18-37-25/h1- 3,5-6,8-13,16,23-24,27-29 H,4,7,14-15,17-18H2,(H3,3 2,33)/t23-,24?,27+,28-,29 -/m0/s1; APELQVQIJUTSME-UDOPOUDQSA-N |
[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C @H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5 )OCO6)Cc7ccccc7)\N; NC(=N)c1ccc(cc1)[C@H ]2[C@@H]3[C@H]([C@@H]4CCCN24)[C@H](Cc5cc ccc5)N(Cc6ccc7OCOc7c6)C3=O; O=C2N(C(Cc1c cccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC4 5)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2[ CH]3[CH]([CH]4CCCN24)[CH](Cc5ccccc5)N(Cc 6ccc7OCOc7c6)C3=O; [H]N=C(c1ccc(cc1)C2C3 C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)Cc7 ccccc7)N |
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE |
| 43488 |  UJ0 |
1 | C19 H22 F2 N2 O2 | InChI=1S/C19H22F2N2O2/c1- 2-17(24)23(16-7-8-16)18(1 2-9-13(20)11-14(21)10-12) 19(25)22-15-5-3-4-6-15/h2 ,9-11,15-16,18H,1,3-8H2,( H,22,25)/t18-/m1/s1; VMRIFQHBFDXKML-GOSISDBHSA-N |
Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O )NC3CCCC3; Fc1cc(F)cc(c1)[C@@H](N(C2CC2) C(=O)C=C)C(=O)NC3CCCC3; C=CC(=O)N(C1CC1) C(c2cc(cc(c2)F)F)C(=O)NC3CCCC3; C=CC(=O) N(C1CC1)[C@H](c2cc(cc(c2)F)F)C(=O)NC3CCC C3 |
N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide |
| 43489 |  UJ1 |
2 | C26 H33 N5 O2 | InChI=1S/C26H33N5O2/c1-7- 18-12-9-11-17(3)23(18)28- 25(33)24(19-13-10-14-27-1 6-19)31(22(32)8-2)21-15-2 0(29-30-21)26(4,5)6/h9-16 ,24H,7-8H2,1-6H3,(H,28,33 )(H,29,30)/t24-/m1/s1; ATGHYXLOAJYKKJ-XMMPIXPASA-N |
CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc( [nH]n3)C(C)(C)C)C(=O)CC)C; CCC(=O)N([CH] (C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n 3)C(C)(C)C; CCC(=O)N([C@@H](C(=O)Nc1c(C) cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C; C Cc1cccc(c1NC(=O)C(c2cccnc2)N(c3cc([nH]n3 )C(C)(C)C)C(=O)CC)C; N(c1c(cccc1C)CC)C(= O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3 |
N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
| 43490 |  UJ2 CHEMBL5091830 |
1 | C22 H18 N2 O3 | InChI=1S/C22H18N2O3/c1-27 -20(16-9-7-15(8-10-16)14- 5-3-2-4-6-14)21-23-18-12- 11-17(22(25)26)13-19(18)2 4-21/h2-13,20H,1H3,(H,23, 24)(H,25,26)/t20-/m0/s1; QYAGQWPYMHPLMR-FQEVSTJZSA-N |
CO[C@H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(c c3)c4ccccc4; COC(c1ccc(cc1)c2ccccc2)c3[n H]c4cc(ccc4n3)C(=O)O; CO[C@@H](c1ccc(cc1 )c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O; CO[C H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4 ccccc4 |
2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid |
| 43491 |  UJ3 |
1 | C22 H22 F N3 O3 | InChI=1S/C22H22FN3O3/c1-1 1(2)19(20-12(3)17-9-14(23 )4-7-18(17)29-20)26-22(28 )25-15-5-6-16-13(8-15)10- 24-21(16)27/h4-9,11,19H,1 0H2,1-3H3,(H,24,27)(H2,25 ,26,28)/t19-/m0/s1; LZUITSLTUCNJFS-IBGZPJMESA-N |
CC(C)[C@H](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc 4ccc(F)cc4c3C; Cc1c2cc(ccc2oc1C(C(C)C)NC (=O)Nc3ccc4c(c3)CNC4=O)F; Cc1c2cc(ccc2oc 1[C@H](C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F; CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc 4ccc(F)cc4c3C |
1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea; SCHEMBL24756013 |
| 43492 |  UJ4 |
1 | C27 H31 N3 O4 | InChI=1S/C27H31N3O4/c1-6- 25(31)30(22-11-9-20(10-12 -22)19(3)33-4)26(21-8-7-1 5-28-17-21)27(32)29-24-14 -13-23(34-5)16-18(24)2/h7 -17,19,26H,6H2,1-5H3,(H,2 9,32)/t19-,26+/m0/s1; QDPHPMZTNKBBHJ-AFMDSPMNSA-N |
N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3cc c(cc3)C(OC)C)C(CC)=O; CCC(=O)N(c1ccc(cc1 )C(C)OC)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC; CCC(=O)N([C@@H](C(=O)Nc1ccc(OC)cc1C)c2cc cnc2)c3ccc(cc3)[C@H](C)OC; CCC(=O)N(c1cc c(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3 ccc(cc3C)OC; CCC(=O)N([CH](C(=O)Nc1ccc(O C)cc1C)c2cccnc2)c3ccc(cc3)[CH](C)OC |
N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
| 43493 |  UJ5 CHEMBL5086911 |
1 | C19 H20 N2 O3 | InChI=1S/C19H20N2O3/c1-11 (2)12-4-6-13(7-5-12)17(24 -3)18-20-15-9-8-14(19(22) 23)10-16(15)21-18/h4-11,1 7H,1-3H3,(H,20,21)(H,22,2 3)/t17-/m0/s1; PVZNGPPPFPTWEL-KRWDZBQOSA-N |
CC(C)c1ccc(cc1)C(c2[nH]c3cc(ccc3n2)C(=O) O)OC; CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3 ccc(cc3)C(C)C; CO[C@H](c1[nH]c2cc(ccc2n1 )C(O)=O)c3ccc(cc3)C(C)C; CC(C)c1ccc(cc1) [C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC |
2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid |
| 43494 |  UJ6 ZINC000095920892 |
4 | C17 H13 N O5 | InChI=1S/C17H13NO5/c19-16 -11(10-3-1-2-4-12(10)18-1 6)7-9-5-6-13-15(23-8-22-1 3)14(9)17(20)21/h1-6,11H, 7-8H2,(H,18,19)(H,20,21)/ t11-/m0/s1; KPBCEHCDLYYWDE-NSHDSACASA-N |
OC(=O)c1c(C[CH]2C(=O)Nc3ccccc23)ccc4OCOc 14; c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c 3C(=O)O)OCO4; OC(=O)c1c(C[C@@H]2C(=O)Nc3 ccccc23)ccc4OCOc14; O=C2Nc1ccccc1C2Cc3cc c4OCOc4c3C(=O)O; c1ccc2c(c1)C(C(=O)N2)Cc 3ccc4c(c3C(=O)O)OCO4 |
5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid |
| 43495 |  UJ7 CHEMBL5558570 |
3 | C35 H49 N5 O3 S | InChI=1S/C35H49N5O3S/c1-2 5-32(27-14-7-3-8-15-27)43 -35(37-25)39-19-20-40(31( 24-39)33(41)36-23-29-18-1 1-21-44-29)34(42)30(22-26 -12-5-2-6-13-26)38-28-16- 9-4-10-17-28/h3,7-8,11,14 -15,18,21,25-26,28,30-32, 38H,2,4-6,9-10,12-13,16-1 7,19-20,22-24H2,1H3,(H,36 ,41)/t25-,30-,31+,32-/m1/ s1; CTYNKFLWABFRHE-BESSAKRQSA-N |
C[CH]1N=C(O[CH]1c2ccccc2)N3CCN([CH](C3)C (=O)NCc4sccc4)C(=O)[CH](CC5CCCCC5)NC6CCC CC6; N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3C CCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N= 6; CC1C(OC(=N1)N2CCN(C(C2)C(=O)NCc3cccs3 )C(=O)C(CC4CCCCC4)NC5CCCCC5)c6ccccc6; C[ C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O )NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCC C5)c6ccccc6; C[C@H]1N=C(O[C@H]1c2ccccc2) N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O)[C@@ H](CC5CCCCC5)NC6CCCCC6 |
(2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
| 43496 |  UJ8 CHEMBL5070147 |
1 | C17 H18 N2 O | InChI=1S/C17H18N2O/c1-11( 2)12-7-9-13(10-8-12)16(20 )17-18-14-5-3-4-6-15(14)1 9-17/h3-11,16,20H,1-2H3,( H,18,19)/t16-/m0/s1; ALKXKMROLUPKRL-INIZCTEOSA-N |
CC(C)c1ccc(cc1)[C@H](O)c2[nH]c3ccccc3n2; CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2) O; CC(C)c1ccc(cc1)C(c2[nH]c3ccccc3n2)O; CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2 |
(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol |
| 43497 |  UJ9 |
2 | C19 H29 N6 O5 S2 | InChI=1S/C19H28N6O5S2/c1- 25(5-3-4-6-25)7-11-9-31-1 7(23-14(11)18(28)29)12(8- 26)21-16(27)15(24-30-2)13 -10-32-19(20)22-13/h10-12 ,17,26H,3-9H2,1-2H3,(H3-, 20,21,22,27,28,29)/p+1/b2 4-15-/t11-,12-,17-/m1/s1; XJYXJMZNAZABOJ-BNWKVGSUSA-O |
C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O )[C@@H](CO)NC(=O)/C(=N\OC)/c3csc(n3)N; C [N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O )C(=NOC)c3csc(n3)N; CON=C(C(=O)N[CH](CO) [CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O) c3csc(N)n3; CO\N=C(/C(=O)N[C@H](CO)[C@H] 1SC[C@@H](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3 csc(N)n3 |
Cefepime (open); (2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; Cefepimum (reacted) |
| 43498 |  UJA |
3 | C32 H42 Cl N5 O3 S | InChI=1S/C32H42ClN5O3S/c3 3-23-13-14-29-26(19-23)36 -32(41-29)37-15-16-38(28( 21-37)30(39)34-20-25-12-7 -17-42-25)31(40)27(18-22- 8-3-1-4-9-22)35-24-10-5-2 -6-11-24/h7,12-14,17,19,2 2,24,27-28,35H,1-6,8-11,1 5-16,18,20-21H2,(H,34,39) /t27-,28+/m1/s1; WQMFHHFJPDQBMH-IZLXSDGUSA-N |
c1cc(sc1)CNC(=O)C2CN(CCN2C(=O)C(CC3CCCCC 3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl; Clc1ccc2o c(nc2c1)N3CCN([CH](C3)C(=O)NCc4sccc4)C(= O)[CH](CC5CCCCC5)NC6CCCCC6; Clc1ccc2oc(n c2c1)N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O )[C@@H](CC5CCCCC5)NC6CCCCC6; c1cc(sc1)CN C(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3 )NC4CCCCC4)c5nc6cc(ccc6o5)Cl; C3N(c1oc2c (n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O) C(CC5CCCCC5)NC6CCCCC6 |
(2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
| 43499 |  UJB ZINC000219083447 |
1 | C19 H22 Cl F3 N4 O2 S | InChI=1S/C19H22ClF3N4O2S/ c1-11-9-29-10-12(2)27(11) 16-7-17(28)25-6-5-14(19(2 1,22)23)26(18(25)24-16)8- 13-3-4-15(20)30-13/h3-4,7 ,11-12,14H,5-6,8-10H2,1-2 H3/t11-,12-,14+/m1/s1; MMAAITOCOBQYBQ-BZPMIXESSA-N |
CC1COCC(N1C2=CC(=O)N3CCC(N(C3=N2)Cc4ccc( s4)Cl)C(F)(F)F)C; C[C@@H]1COC[C@H](N1C2= CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F )(F)F)C; C[C@@H]1COC[C@@H](C)N1C2=CC(=O) N3CC[C@H](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F)F; Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O )N3CCC4C(F)(F)F; C[CH]1COC[CH](C)N1C2=CC (=O)N3CC[CH](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F )F |
(2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one |
| 43500 |  UJC |
1 | C25 H19 F4 N3 O3 | InChI=1S/C25H19F4N3O3/c1- 12-5-3-4-6-17(12)21-20-18 (24(35)32-21)9-14(22(33)3 0-2)10-19(20)31-23(34)13- 7-15(25(27,28)29)11-16(26 )8-13/h3-11,21H,1-2H3,(H, 30,33)(H,31,34)(H,32,35)/ t21-/m0/s1; CIGJKSFOADUAIC-NRFANRHFSA-N |
Cc1ccccc1[C@H]2c3c(cc(cc3NC(=O)c4cc(cc(c 4)F)C(F)(F)F)C(=O)NC)C(=O)N2; FC(F)(F)c1 cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1c cccc1C)C(=O)NC; CNC(=O)c1cc(NC(=O)c2cc(F )cc(c2)C(F)(F)F)c3[CH](NC(=O)c3c1)c4cccc c4C; Cc1ccccc1C2c3c(cc(cc3NC(=O)c4cc(cc( c4)F)C(F)(F)F)C(=O)NC)C(=O)N2; CNC(=O)c1 cc(NC(=O)c2cc(F)cc(c2)C(F)(F)F)c3[C@@H]( NC(=O)c3c1)c4ccccc4C |
(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide |
| 43501 |  UJD CHEMBL1982694 ZINC000001684251 |
9 | C4 H6 O2 S2 | InChI=1S/C4H6O2S2/c5-3(6) 4-7-1-2-8-4/h4H,1-2H2,(H, 5,6); DSOVOUOPKYLGID-UHFFFAOYSA-N |
OC(=O)C1SCCS1; C1CSC(S1)C(=O)O; C(C1SCCS 1)(O)=O |
1,3-dithiolane-2-carboxylic acid |
| 43502 |  UJE |
10 | C14 H24 N4 O2 S | InChI=1S/C14H24N4O2S/c19- 12(16-9-5-6-15-7-9)4-2-1- 3-11-13-10(8-21-11)17-14( 20)18-13/h9-11,13,15H,1-8 H2,(H,16,19)(H2,17,18,20) /t9-,10-,11-,13-/m0/s1; QSMYOZNFIUDGEL-ZPFDUUQYSA-N |
O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3 CCNC3; C1CNCC1NC(=O)CCCCC2C3C(CS2)NC(=O) N3; C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C @H](CS2)NC(=O)N3; O=C(CCCC[C@@H]1SC[C@@H ]2NC(=O)N[C@H]12)N[C@H]3CCNC3 |
5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide; 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide |
| 43503 |  UJF CHEMBL1182312 ZINC000013681007 |
2 | C14 H14 I N O2 | InChI=1S/C14H14INO2/c15-1 3-9-10(7-8-16)1-6-14(13)1 8-12-4-2-11(17)3-5-12/h1- 6,9,17H,7-8,16H2; XIINYOJWNGOUPF-UHFFFAOYSA-N |
c1cc(ccc1O)Oc2ccc(cc2I)CCN; NCCc1ccc(Oc2 ccc(O)cc2)c(I)c1 |
4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol |
| 43504 |  UJG |
2 | C31 H41 N9 O15 P2 S | InChI=1S/C31H41N9O15P2S/c 1-13-6-15-16(7-14(13)2)40 (20-4-3-5-58-20)22-28(36- 31(47)37-29(22)46)38(15)8 -17(41)23(43)18(42)9-52-5 6(48,49)55-57(50,51)53-10 -19-24(44)25(45)30(54-19) 39-12-35-21-26(32)33-11-3 4-27(21)39/h6-7,11-12,17- 20,23-25,30,41-45H,3-5,8- 10H2,1-2H3,(H,48,49)(H,50 ,51)(H2,32,33,34)(H2,36,3 7,46,47)/t17-,18+,19+,20+ ,23-,24+,25+,30+/m0/s1; LSSZTRLJARKKDF-JFPATDFNSA-N |
Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[ C@@H]3O)n4cnc5c(N)ncnc45)C6=C(N([C@H]7CC CS7)c2cc1C)C(=O)NC(=O)N6; Cc1cc2N(C[CH]( O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)O C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc 45)C6=C(N([CH]7CCCS7)c2cc1C)C(=O)NC(=O)N 6; P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncn c23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O )=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O; Cc1 cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(= O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O )O)NC(=O)NC3=O)C7CCCS7; Cc1cc2c(cc1C)N(C 3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP (=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5 cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H] 7CCCS7 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
| 43505 |  UJH |
1 | C10 H9 N O2 | InChI=1S/C10H9NO2/c1-13-1 1-7-6-10(12)8-4-2-3-5-9(8 )11/h2-7H,1H3; QKCKRWUYZIGMET-UHFFFAOYSA-N |
CON1C=CC(=O)c2c1cccc2; CON1C=CC(=O)c2ccc cc12 |
1-methoxy-4-oxoquinoline; 1-methoxyquinolin-4-one |
| 43506 |  UJI |
4 | H4 O4 Sb | InChI=1S/4H2O.Sb.H/h4*1H2 ;;/q;;;;+4;/p-4; JMPYBWKBSUDWDS-UHFFFAOYSA-J |
O[Sb](O)(O)O | tetrakis(oxidanyl)antimony; antimony oxyanion |
| 43507 |  UJJ |
2 | C30 H39 N9 O15 P2 S2 | InChI=1S/C30H39N9O15P2S2/ c1-12-5-14-15(6-13(12)2)3 9(30-57-3-4-58-30)20-26(3 5-29(46)36-27(20)45)37(14 )7-16(40)21(42)17(41)8-51 -55(47,48)54-56(49,50)52- 9-18-22(43)23(44)28(53-18 )38-11-34-19-24(31)32-10- 33-25(19)38/h5-6,10-11,16 -18,21-23,28,30,40-44H,3- 4,7-9H2,1-2H3,(H,47,48)(H ,49,50)(H2,31,32,33)(H2,3 5,36,45,46)/t16-,17+,18+, 21-,22+,23+,28+/m0/s1; JJIDBJDGDVTJIQ-LKQKGXMZSA-N |
Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O) O)O)O)NC(=O)NC3=O)C7SCCS7; Cc1cc2c(cc1C) N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O )OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4 )n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7 SCCS7; C1(C2=C(NC(=O)N1)N(c4cc(c(cc4N2C3 SCCS3)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)( O)OCC5OC(C(C5O)O)n6cnc7c(N)ncnc67)=O; Cc 1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O) O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4 cnc5c(N)ncnc45)C6=C(N(C7SCCS7)c2cc1C)C(= O)NC(=O)N6; Cc1cc2N(C[C@H](O)[C@H](O)[C@ H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@ H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C6= C(N(C7SCCS7)c2cc1C)C(=O)NC(=O)N6 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate |
| 43508 |  UJK ZINC000036666764 |
5 | C10 H9 N3 O2 | InChI=1S/C10H9N3O2/c1-7-4 -2-3-5-9(7)13-6-8(10(14)1 5)11-12-13/h2-6H,1H3,(H,1 4,15); DAYJQFRBEKQYDR-UHFFFAOYSA-N |
Cc1ccccc1n2cc(nn2)C(O)=O; Cc1ccccc1n2cc( nn2)C(=O)O |
1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid; 1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104 |
| 43509 |  UJL CHEMBL4650337 DB15665 ZINC000205013646 |
6 | C9 H13 N O S | InChI=1S/C9H13NOS/c1-10-6 -8-9-7(2-4-11-8)3-5-12-9/ h3,5,8,10H,2,4,6H2,1H3/t8 -/m0/s1; ABDDQTDRAHXHOC-QMMMGPOBSA-N |
CNCC1c2c(ccs2)CCO1; CNC[C@H]1c2c(ccs2)CC O1; CNC[CH]1OCCc2ccsc12; CNC[C@@H]1OCCc2 ccsc12 |
1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine; Ulotaront; SEP-363856 ; SEP-856 |
| 43510 |  UJM ZINC000000900767 |
2 | C5 H8 O2 S | InChI=1S/C5H8O2S/c6-5(7)4 -2-1-3-8-4/h4H,1-3H2,(H,6 ,7)/t4-/m0/s1; MZOYMQRKTJRHGJ-BYPYZUCNSA-N |
OC(=O)[CH]1CCCS1; C(O)(C1SCCC1)=O; C1CC( SC1)C(=O)O; C1C[C@H](SC1)C(=O)O; OC(=O)[ C@@H]1CCCS1 |
(2S)-thiolane-2-carboxylic acid |
| 43511 |  UJN |
1 | C14 H26 O23 P6 | InChI=1S/C14H26O23P6/c15- 38(16,17)7-39(18,19)33-12 -13(36-42(26,27)28)10(34- 40(20,21)22)9(32-6-8-4-2- 1-3-5-8)11(35-41(23,24)25 )14(12)37-43(29,30)31/h1- 5,9-14H,6-7H2,(H,18,19)(H 2,15,16,17)(H2,20,21,22)( H2,23,24,25)(H2,26,27,28) (H2,29,30,31)/t9-,10-,11+ ,12-,13-,14-/m1/s1; WTIJGFYHWWTXHU-BUCHIQEDSA-N |
c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@ H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O )O)O)OP(=O)(O)O)OP(=O)(O)O; c1ccc(cc1)CO C2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OP(=O) (CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O; O[P ](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O) =O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH ](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O[P](O )(=O)C[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O) =O)[C@H](O[P](O)(O)=O)[C@@H](OCc2ccccc2) [C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O |
[oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid; [oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid |
| 43512 |  UJO |
7 | C29 H57 N O3 | InChI=1S/C29H57NO3/c1-3-5 -7-9-11-13-14-15-17-18-20 -22-24-28(32)27(26-31)30- 29(33)25-23-21-19-16-12-1 0-8-6-4-2/h22,24,27-28,31 -32H,3-21,23,25-26H2,1-2H 3,(H,30,33)/b24-22-/t27-, 28+/m0/s1; CUYUYRQLXJHPEB-UWJMOZLHSA-N |
CCCCCCCCCCCC/C=C\[C@H]([C@H](CO)NC(=O)CC CCCCCCCCC)O; CCCCCCCCCCCCC=C[CH](O)[CH]( CO)NC(=O)CCCCCCCCCCC; CCCCCCCCCCCCC=CC(C (CO)NC(=O)CCCCCCCCCCC)O; CCCCCCCCCCCC\C= C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC |
~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide |
| 43513 |  UJP ZINC000000900769 |
8 | C5 H8 O2 S | InChI=1S/C5H8O2S/c6-5(7)4 -2-1-3-8-4/h4H,1-3H2,(H,6 ,7)/t4-/m1/s1; MZOYMQRKTJRHGJ-SCSAIBSYSA-N |
C(O)(C1CCCS1)=O; C1C[C@@H](SC1)C(=O)O; O C(=O)[CH]1CCCS1; C1CC(SC1)C(=O)O; OC(=O) [C@H]1CCCS1 |
(2R)-thiolane-2-carboxylic acid |
| 43514 |  UJQ CHEMBL520 ZINC000000078659 |
3 | C14 H10 O3 | InChI=1S/C14H10O3/c15-14( 16)13-9-5-1-3-7-11(9)17-1 2-8-4-2-6-10(12)13/h1-8,1 3H,(H,15,16); VSBFNCXKYIEYIS-UHFFFAOYSA-N |
c1ccc2c(c1)C(c3ccccc3O2)C(=O)O; OC(=O)C1 c2ccccc2Oc3ccccc13 |
9~{H}-xanthene-9-carboxylic acid |
| 43515 |  UJR |
0 | C7 H8 I N3 O S | InChI=1S/C7H8IN3OS/c8-5-1 -10-7(11-2-5)13-4-6(9)3-1 2/h1-3,6H,4,9H2/t6-/m1/s1; MJAWREUUBHZDOO-ZCFIWIBFSA-N |
c1c(cnc(n1)SC[C@@H](C=O)N)I; c1c(cnc(n1) SCC(C=O)N)I; N[CH](CSc1ncc(I)cn1)C=O; N[ C@@H](CSc1ncc(I)cn1)C=O |
(2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal; arylated cysteine |
| 43516 |  UJS |
2 | C24 H16 N2 O3 | InChI=1S/C24H16N2O3/c27-2 2-10-9-16(23(28)25-12-17- 5-1-2-6-18(17)13-25)11-21 (22)24(29)26-14-19-7-3-4- 8-20(19)15-26/h1-15,27H; FQSLQNAXZJFWRX-UHFFFAOYSA-N |
c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O) n4cc5c(c4)cccc5; Oc1ccc(cc1C(=O)n2cc3ccc cc3c2)C(=O)n4cc5ccccc5c4; c1ccc2cn(cc2c1 )C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O |
(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone] |
| 43517 |  UJT |
1 | C26 H33 N11 O8 | InChI=1S/C26H33N11O8/c27- 21-15-23(31-9-29-21)36(11 -33-15)25-19(42)17(40)12( 44-25)7-35(5-2-6-38)4-1-3 -14-34-16-22(28)30-10-32- 24(16)37(14)26-20(43)18(4 1)13(8-39)45-26/h9-13,17- 20,25-26,38-43H,2,4-8H2,( H2,27,29,31)(H2,28,30,32) /t12-,13+,17+,18+,19+,20+ ,25-,26-/m0/s1; FIHPXHNEJQUZOK-ILVBEZOOSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCO)CC# Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N ; Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCO)CC# Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[C H]6O)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)[C @H]3[C@@H]([C@@H]([C@H](O3)CN(CCCO)CC#Cc 4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O 6)CO)O)O)N)O)O)N; Nc1ncnc2n(cnc12)[C@@H] 3O[C@H](CN(CCCO)CC#Cc4nc5c(N)ncnc5n4[C@@ H]6O[C@H](CO)[C@@H](O)[C@H]6O)[C@@H](O)[ C@H]3O |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol |
| 43518 |  UJU CHEMBL4594376 DB19128 |
1 | C17 H22 N4 O2 | InChI=1S/C17H22N4O2/c1-3- 14-11(2)16(21-20-14)17(22 )19-13-6-4-12(5-7-13)15-1 0-18-8-9-23-15/h4-7,15,18 H,3,8-10H2,1-2H3,(H,19,22 )(H,20,21)/t15-/m1/s1; XHHXGKRFUPEPFM-OAHLLOKOSA-N |
CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]3CNCCO3) c1C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CN CCO3)C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[ C@H]3CNCCO3)C; CCc1[nH]nc(C(=O)Nc2ccc(cc 2)[CH]3CNCCO3)c1C |
5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide; Ralmitaront |
| 43519 |  UJV |
2 | C25 H17 F N2 O4 | InChI=1S/C25H17FN2O4/c1-3 2-19-7-5-16-11-27(13-18(1 6)9-19)25(31)20-10-15(6-8 -23(20)29)24(30)28-12-17- 3-2-4-22(26)21(17)14-28/h 2-14,29H,1H3; CNJHIRFLYFXCOH-UHFFFAOYSA-N |
c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(c c3)OC)c4)=O)c(F)ccc5; COc1ccc2cn(cc2c1)C (=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F; CO c1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc 5cccc(F)c5c4 |
[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone |
| 43520 |  UJW |
1 | C13 H15 N3 S | InChI=1S/C13H15N3S/c14-7- 6-11-10(8-12(17-11)13(15) 16)9-4-2-1-3-5-9/h1-5,8H, 6-7,14H2,(H3,15,16); KHPVBZDLURAJCV-UHFFFAOYSA-N |
NCCc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(\c1c c(c(s1)CCN)c2ccccc2)/N; c1ccc(cc1)c2cc(s c2CCN)C(=N)N |
5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide; 5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide |
| 43521 |  UJX ZINC000103252954 |
1 | C19 H18 N2 O5 | InChI=1S/C19H18N2O5/c1-3- 25-19(24)17-16(12-5-4-8-2 0-10-12)14-7-6-13(23)9-15 (14)26-18(17)21-11(2)22/h 4-10,16,23H,3H2,1-2H3,(H, 21,22)/t16-/m0/s1; GGBHINRNYAAYMX-INIZCTEOSA-N |
CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1 c3cccnc3; CCOC(=O)C1=C(Oc2cc(ccc2C1c3ccc nc3)O)NC(=O)C; CCOC(=O)C1=C(Oc2cc(ccc2[C @@H]1c3cccnc3)O)NC(=O)C; CCOC(=O)C1=C(NC (C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3 |
ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate; ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate; ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate |
| 43522 |  UJY |
2 | C45 H37 N2 O4 P | InChI=1S/C45H37N2O4P/c48- 43-24-22-33(44(49)46-29-3 4-13-10-11-14-35(34)30-46 )28-42(43)45(50)47-31-36- 21-23-38(27-37(36)32-47)5 1-25-12-26-52(39-15-4-1-5 -16-39,40-17-6-2-7-18-40) 41-19-8-3-9-20-41/h1-11,1 3-24,27-32,48,52H,12,25-2 6H2; LKRQAENWLOVTOO-UHFFFAOYSA-N |
Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc 4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccc cc8c7; c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C( =O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7cccc c7)c8ccccc8; c1(cc(ccc1O)C(n3cc2c(cccc2) c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6cccc c6)(c7ccccc7)c8ccccc8 |
[2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone |
| 43523 |  UJZ ZINC000000090522 |
6 | C8 H4 Br F3 N2 | InChI=1S/C8H4BrF3N2/c9-5- 1-4(8(10,11)12)2-6-7(5)14 -3-13-6/h1-3H,(H,13,14); HYTQERQCUFICAX-UHFFFAOYSA-N |
c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F; FC(F)(F) c1cc(Br)c2nc[nH]c2c1 |
4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
| 43524 |  UK0 CHEMBL461615 ZINC000028536305 |
1 | C20 H28 O3 | InChI=1S/C20H28O3/c1-14-7 -10-20(3)16(18(21)22)5-4- 6-17(20)19(14,2)11-8-15-9 -12-23-13-15/h5,9,12-14,1 7H,4,6-8,10-11H2,1-3H3,(H ,21,22)/t14-,17-,19+,20+/ m1/s1; HHWOKJDCJVESIF-JBCDFXQESA-N |
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@ @]1(C)CCc3cocc3; CC1CCC2(C(C1(C)CCc3ccoc 3)CCC=C2C(=O)O)C; C[C@@H]1CC[C@@]2([C@@H ]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C; C[C H]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc 3cocc3 |
(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
| 43525 |  UK1 |
1 | C47 H49 F2 N11 O5 | InChI=1S/C47H49F2N11O5/c1 -8-9-37(42-51-45(62)65-53 -42)59-34-11-10-30(55-18- 19-64-47(5,6)25-55)22-29( 34)23-38(59)44(61)56-15-1 4-33-39(28(56)4)43(60(52- 33)31-20-26(2)40(48)27(3) 21-31)58-17-16-57(46(58)6 3)36-13-12-35-32(41(36)49 )24-50-54(35)7/h10-13,16- 17,20-24,28,37H,8-9,14-15 ,18-19,25H2,1-7H3,(H,51,5 3,62)/t28-,37-/m0/s1; WUVYFHGOFAAJMK-AIJWEMPKSA-N |
CCCC(C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4C Cc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7= O)c8ccc9c(c8F)cnn9C)C4C)N1CCOC(C1)(C)C; CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(= O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=C N(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC (C1)(C)C; CCC[CH](n1c2ccc(cc2cc1C(=O)N3C Cc4nn(c5cc(C)c(F)c(C)c5)c(N6C=CN(C6=O)c7 ccc8n(C)ncc8c7F)c4[CH]3C)N9CCOC(C)(C)C9) C%10=NOC(=O)N%10; c1(cc(cc(c1F)C)n7c(c2c (CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C) n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c 9c(c%10c(cc9)n(C)nc%10)F)C; CCC[C@H](n1c 2ccc(cc2cc1C(=O)N3CCc4nn(c5cc(C)c(F)c(C) c5)c(N6C=CN(C6=O)c7ccc8n(C)ncc8c7F)c4[C@ @H]3C)N9CCOC(C)(C)C9)C%10=NOC(=O)N%10 |
3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one |
| 43526 |  UK2 ZINC000169746924 |
13 | C7 H8 B N O4 | InChI=1S/C7H8BNO4/c1-5-2- 3-6(8(10)11)4-7(5)9(12)13 /h2-4,10-11H,1H3; OASVXBRTNVFKFS-UHFFFAOYSA-N |
B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O; Cc1ccc (cc1[N+]([O-])=O)B(O)O |
(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron |
| 43527 |  UK3 |
0 | C101 H135 F N16 O25 S | InChI=1S/C101H135FN16O25S /c1-12-80-101(7)87(58(4)8 2(124)56(2)47-79(139-10)8 6(59(5)88(128)100(6,102)9 8(137)141-80)142-97-85(12 7)76(114(8)9)48-57(3)140- 97)118(99(138)143-101)44- 20-19-43-116-53-73(112-11 3-116)61-25-21-26-63(50-6 1)106-90(130)70(39-46-144 -11)108-92(132)71(49-60-3 5-37-64(120)38-36-60)110- 91(131)69(31-15-16-40-103 )109-94(134)75-32-24-45-1 17(75)96(136)74(55-119)11 1-93(133)72(51-62-52-105- 68-30-14-13-27-65(62)68)1 07-81(123)54-115(95(135)6 7-29-23-34-78(122)84(67)1 26)42-18-17-41-104-89(129 )66-28-22-33-77(121)83(66 )125/h13-14,21-23,25-30,3 3-38,50,52-53,56-59,69-72 ,74-76,79-80,85-87,97,105 ,119-122,125-127H,12,15-2 0,24,31-32,39-49,51,54-55 ,103H2,1-11H3,(H,104,129) (H,106,130)(H,107,123)(H, 108,132)(H,109,134)(H,110 ,131)(H,111,133)/t56-,57- ,58+,59-,69-,70-,71-,72-, 74-,75-,76+,79-,80-,85-,8 6-,87-,97+,100+,101-/m1/s 1; CELYJJFZBWFIMS-JTHPDSKOSA-N |
CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1) (C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C (=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CC SC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC (=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c 8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C (=O)c1cccc(c1O)O)C; CC[C@@H]1[C@@]2([C@@ H]([C@H](C(=O)[C@@H](C[C@H]([C@@H]([C@H] (C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]( [C@H](C[C@H](O3)C)N(C)C)O)OC)C)C)N(C(=O) O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)[C@@H](C CSC)NC(=O)[C@@H](Cc6ccc(cc6)O)NC(=O)[C@@ H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO )NC(=O)[C@@H](Cc8c[nH]c9c8cccc9)NC(=O)CN (CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O) O)C; CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[ CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH ](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn 4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6c cc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCC N7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9cccc c89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O) C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC ; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C) [C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O) N(C)C)[C@@H](C[C@@H](C)C(=O)[C@H](C)[C@H ]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C@@H](CCS C)NC(=O)[C@@H](Cc6ccc(O)cc6)NC(=O)[C@@H] (CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO)N C(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)CN(C CCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc( O)c%11O)c5)C(=O)O[C@]13C)OC |
(2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide |
| 43528 |  UK4 CHEMBL4518483 DB16043 |
4 | C31 H30 F N5 O4 | InChI=1S/C31H30FN5O4/c32- 25-14-20(16-33)4-5-23(25) 19-41-30-3-1-2-26(35-30)2 1-8-11-36(12-9-21)18-29-3 4-27-7-6-22(31(38)39)15-2 8(27)37(29)17-24-10-13-40 -24/h1-7,14-15,21,24H,8-1 3,17-19H2,(H,38,39)/t24-/ m0/s1; HYBAKUMPISVZQP-DEOSSOPVSA-N |
OC(=O)c1ccc2nc(CN3CCC(CC3)c4cccc(OCc5ccc (cc5F)C#N)n4)n(C[CH]6CCO6)c2c1; c1cc(nc( c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc( cc5n4CC6CCO6)C(=O)O; c1cc(nc(c1)OCc2ccc( cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H ]6CCO6)C(=O)O; OC(=O)c1ccc2nc(CN3CCC(CC3 )c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[C@@H]6CC O6)c2c1; C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2 c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5 |
2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid |
| 43529 |  UK5 |
1 | C9 H7 N O2 | InChI=1S/C9H7NO2/c11-9-5- 6-10(12)8-4-2-1-3-7(8)9/h 1-6,12H; AJTLULFWRGRNEZ-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)C=CN2O; ON1C=CC(=O)c2ccc cc12 |
1-oxidanylquinolin-4-one |
| 43530 |  UK6 CHEMBL294740 ZINC000003881344 |
1 | C20 H36 O2 | InChI=1S/C20H36O2/c1-7-18 (4,21)13-9-16-19(5)12-8-1 1-17(2,3)15(19)10-14-20(1 6,6)22/h7,15-16,21-22H,1, 8-14H2,2-6H3/t15-,16+,18- ,19-,20+/m0/s1; XVULBTBTFGYVRC-HHUCQEJWSA-N |
CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[ C](C)(O)C=C; C[C@]12CCCC([C@@H]1CC[C@@]( [C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C; CC1(CC CC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C; CC1(C )CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2C C[C@@](C)(O)C=C |
sclareol; (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol; (13R)-Labd-14-ene-8,13-diol |
| 43531 |  UK7 CHEMBL4546073 |
4 | C18 H19 N3 O S | InChI=1S/C18H19N3OS/c19-1 0-12-4-5-15-16(11-21(6-7- 22)17(15)8-12)13-2-1-3-14 (9-13)18(20)23/h1-5,8-9,1 1,22H,6-7,10,19H2,(H2,20, 23); CIMSFIOQZTXZEP-UHFFFAOYSA-N |
c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO ; C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO) ccc3; NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C( N)=S |
3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide |
| 43532 |  UK8 CHEMBL5180168 |
1 | C21 H13 Cl F3 N3 O4 | InChI=1S/C21H13ClF3N3O4/c 22-16-3-1-2-15(21(23,24)2 5)17(16)18-14(19(32-28-18 )12-8-26-27-9-12)10-31-13 -6-4-11(5-7-13)20(29)30/h 1-9H,10H2,(H,26,27)(H,29, 30); OPIGXBQPAXXYLU-UHFFFAOYSA-N |
OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F )F)c4c[nH]nc4)cc1; c1cc(c(c(c1)Cl)c2c(c( on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F )F |
4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid |
| 43533 |  UK9 CHEMBL75267 ZINC000000057657 |
3 | C15 H10 O4 | InChI=1S/C15H10O4/c16-11- 7-6-10-12(17)8-13(19-15(1 0)14(11)18)9-4-2-1-3-5-9/ h1-8,16,18H; COCYGNDCWFKTMF-UHFFFAOYSA-N |
c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O; Oc1 ccc2C(=O)C=C(Oc2c1O)c3ccccc3 |
7,8-bis(oxidanyl)-2-phenyl-chromen-4-one |
| 43534 |  UKA CHEMBL1096896 DB12691 ZINC000095539256 |
5 | C40 H47 N11 O6 | InChI=1S/C40H47N11O6/c1-2 -41-37(54)33-31(52)32(53) 39(57-33)51-24-46-30-34(4 5-23-28(25-11-5-3-6-12-25 )26-13-7-4-8-14-26)48-35( 49-36(30)51)38(55)43-19-2 0-44-40(56)47-27-16-21-50 (22-17-27)29-15-9-10-18-4 2-29/h3-15,18,24,27-28,31 -33,39,52-53H,2,16-17,19- 23H2,1H3,(H,41,54)(H,43,5 5)(H2,44,47,56)(H,45,48,4 9)/t31-,32+,33-,39+/m0/s1; ZOTHAEBAWXWVID-HXEFRTELSA-N |
CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCC(c4c cccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6) c7ccccn7)O)O; CCNC(=O)[CH]1O[CH]([CH](O) [CH]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc( nc23)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7; O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4 ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccc cc6)c7ccccc7; CCNC(=O)[C@@H]1[C@H]([C@H] ([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5 ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7 )O)O; CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H ]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(nc2 3)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7 |
6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide |
| 43535 |  UKB CHEMBL5177875 |
1 | C22 H13 Cl F4 N2 O4 | InChI=1S/C22H13ClF4N2O4/c 23-16-3-1-2-15(22(25,26)2 7)18(16)19-14(20(33-29-19 )11-6-7-28-9-11)10-32-12- 4-5-13(21(30)31)17(24)8-1 2/h1-9,28H,10H2,(H,30,31); WKGLEAWUJDYKCF-UHFFFAOYSA-N |
OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F )F)c4c[nH]cc4)cc1F; c1cc(c(c(c1)Cl)c2c(c (on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C( F)(F)F |
4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid |
| 43536 |  UKC CHEMBL42906 ZINC000000005563 |
0 | C17 H17 N5 O | InChI=1S/C17H17N5O/c1-4-2 1-15-12(6-5-9-18-15)16-19 -10-11(2)22(16)13-7-8-14( 23-3)20-17(13)21/h5-10H,4 H2,1-3H3; WCIBELXOPRCLEG-UHFFFAOYSA-N |
CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C; CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14; n3 c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC |
8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE |
| 43537 |  UKD |
0 | C5 H9 N4 O5 P | InChI=1S/C5H9N4O5P/c6-3(5 (10)11)1-9-2-4(7-8-9)15(1 2,13)14/h2-3H,1,6H2,(H,10 ,11)(H2,12,13,14)/t3-/m0/ s1; ANOPRINJTAMRJE-VKHMYHEASA-N |
c1c(nnn1CC(C(=O)O)N)P(=O)(O)O; c1c(nnn1C [C@@H](C(=O)O)N)P(=O)(O)O; N[C@@H](Cn1cc (nn1)[P](O)(O)=O)C(O)=O; OP(=O)(O)c1nnn( c1)CC(N)C(O)=O; N[CH](Cn1cc(nn1)[P](O)(O )=O)C(O)=O |
3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine; pHis |
| 43538 |  UKE ZINC000072338580 |
1 | C9 H7 N O4 | InChI=1S/C9H7NO4/c1-13-5- 2-3-7-6(4-5)10-8(14-7)9(1 1)12/h2-4H,1H3,(H,11,12); SNQUKJWKYRHONV-UHFFFAOYSA-N |
COc1ccc2c(c1)nc(o2)C(=O)O; COc1ccc2oc(nc 2c1)C(O)=O |
5-methoxy-1,3-benzoxazole-2-carboxylic acid; 5-Methoxybenzo[d]oxazole-2-carboxylic acid |
| 43539 |  UKF CHEMBL5405744 |
2 | C24 H35 N5 O7 | InChI=1S/C24H35N5O7/c30-1 4-19-21(32)22(33)20(31)13 -28(19)11-4-2-1-3-10-25-1 7-9-8-16(12-18(17)29(34)3 5)23-26-24(36-27-23)15-6- 5-7-15/h8-9,12,15,19-22,2 5,30-33H,1-7,10-11,13-14H 2/t19-,20+,21-,22-/m1/s1; QTIHMFZOPONAII-CIAFKFPVSA-N |
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC CCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CC C4; c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O -])NCCCCCCN4CC(C(C(C4CO)O)O)O; OC[CH]1[C H](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N +]([O-])=O)c3noc(n3)C4CCC4; OCC1C(O)C(O) C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc (on1)C1CCC1; c1cc(c(cc1c2nc(on2)C3CCC3)[ N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H ]([C@H]4CO)O)O)O |
(2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 43540 |  UKG CHEMBL5497200 |
2 | C11 H7 Br Cl N5 O2 S2 | InChI=1S/C11H7BrClN5O2S2/ c12-8-5-9(21-10(8)13)22(1 9,20)16-7-3-1-2-6(4-7)11- 14-17-18-15-11/h1-5,16H,( H,14,15,17,18); LKCZAUKSYHEDJR-UHFFFAOYSA-N |
Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH ]nnn3; c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl )Br)c3[nH]nnn3 |
4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide |
| 43541 |  UKH CHEMBL91108 ZINC000169743514 |
10 | C6 H6 B N O4 | InChI=1S/C6H6BNO4/c9-7(10 )5-1-3-6(4-2-5)8(11)12/h1 -4,9-10H; NSFJAFZHYOAMHL-UHFFFAOYSA-N |
OB(O)c1ccc(cc1)[N+]([O-])=O; B(c1ccc(cc1 )[N+](=O)[O-])(O)O |
p-nitrophenylboronic acid; (4-nitrophenyl)boronic acid |
| 43542 |  UKI CHEMBL4297190 DB15106 ZINC000117218067 |
3 | C24 H28 N6 O3 S | InChI=1S/C24H28N6O3S/c1-1 7-13-19-15-21(7-8-22(19)2 7-17)33-23-9-10-25-24(29- 23)28-20-6-4-5-18(14-20)1 6-34(31,32)26-11-12-30(2) 3/h4-10,13-15,26-27H,11-1 2,16H2,1-3H3,(H,25,28,29); TTZSNFLLYPYKIL-UHFFFAOYSA-N |
CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3cc c4[nH]c(C)cc4c3)n2)c1; Cc1cc2cc(ccc2[nH] 1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C )C |
Sulfatinib; N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide |
| 43543 |  UKJ |
1 | C13 H7 Br F3 N O5 S | InChI=1S/C13H7BrF3NO5S/c1 4-7-3-8(15)5-9(4-7)23-12- 2-1-10(6-11(12)18(19)20)2 4(21,22)13(16)17/h1-6,13H; DRYZYPGPBXQGKZ-UHFFFAOYSA-N |
[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc (Br)cc(c2)F)=O; [O-][N+](=O)c1cc(ccc1Oc2 cc(F)cc(Br)c2)[S](=O)(=O)C(F)F; c1cc(c(c c1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c 2)Br)F |
1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene |
| 43544 |  UKK ZINC000000158925 |
1 | C11 H10 N2 O | InChI=1S/C11H10N2O/c12-9- 6-7-11(13-8-9)14-10-4-2-1 -3-5-10/h1-8H,12H2; DETKIRMPBJPJRQ-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccc(cn2)N; Nc1ccc(Oc2ccccc2 )nc1 |
6-phenoxy-3-pyridinamine; 6-phenoxypyridin-3-amine |
| 43545 |  UKL |
1 | C37 H66 N7 O17 P3 S | InChI=1S/C37H66N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-26(45)22-65-20- 19-39-28(46)17-18-40-35(4 9)32(48)37(2,3)23-58-64(5 5,56)61-63(53,54)57-21-27 -31(60-62(50,51)52)30(47) 36(59-27)44-25-43-29-33(3 8)41-24-42-34(29)44/h24-2 5,27,30-32,36,47-48H,4-23 H2,1-3H3,(H,39,46)(H,40,4 9)(H,53,54)(H,55,56)(H2,3 8,41,42)(H2,50,51,52)/t27 -,30-,31-,32+,36-/m1/s1; IAOAEHHNNYJGNY-WOQKIVQTSA-N |
CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@ H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@ H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2 cnc3c(N)ncnc23; CCCCCCCCCCCCCCC(=O)CSCCN C(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O) (O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)( O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(= O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C( O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCC CCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C( C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([ C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O )O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC( =O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O) OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2 cnc3c(N)ncnc23 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
| 43546 |  UKM ZINC000006381313 |
2 | C4 H10 O4 S | InChI=1S/C4H10O4S/c1-2-3- 4(5)9(6,7)8/h4-5H,2-3H2,1 H3,(H,6,7,8)/t4-/m1/s1; KMBRJVMBQNMRDM-SCSAIBSYSA-N |
CCC[C@H](O)[S](O)(=O)=O; CCC[CH](O)[S](O )(=O)=O; CCCC(O)S(=O)(=O)O; CCC[C@H](O)S (=O)(=O)O; C(CCC)(O)S(=O)(O)=O |
(1R)-1-hydroxybutane-1-sulfonic acid |
| 43547 |  UKN |
1 | C12 H8 Cl F N2 O4 | InChI=1S/C12H8ClFN2O4/c13 -7-3-1-6(2-4-7)5-20-11(18 )9-8(14)10(17)16-12(19)15 -9/h1-4H,5H2,(H2,15,16,17 ,19); QEEOXIYGELWSIT-UHFFFAOYSA-N |
FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2; c 1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl; O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1 |
(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
| 43548 |  UKO ZINC000137062568 |
2 | C14 H18 N4 O3 S2 | InChI=1S/C14H18N4O3S2/c15 -13-10(3-1-7-16-23(20,21) 11-5-6-11)9-18(14(19)17-1 3)12-4-2-8-22-12/h9,11-12 ,16H,2,4-8H2,(H2,15,17,19 )/t12-/m1/s1; DXQFIQXYAWBCLC-GFCCVEGCSA-N |
NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[C H]3CCCS3; NC1=NC(=O)N(C=C1C#CCN[S](=O)(= O)C2CC2)[C@H]3CCCS3; C1C[C@@H](SC1)N2C=C (C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3; C1CC(SC 1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 |
~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide |
| 43549 |  UKP CHEMBL212616 DB04172 ZINC000014881108 |
1 | C32 H48 N6 O4 S | InChI=1S/C32H48N6O4S/c1-2 0(2)25-18-26(21(3)4)30(27 (19-25)22(5)6)43(41,42)36 -28(17-23-8-7-9-24(16-23) 31(34)35)32(40)38-14-12-3 7(13-15-38)29(39)10-11-33 /h7-9,16,18-22,28,36H,10- 15,17,33H2,1-6H3,(H3,34,3 5)/t28-/m0/s1; WATXEHGLYJKXOF-NDEPHWFRSA-N |
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O) N[C@@H](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3 )C(=O)CCN; CC(C)c1cc(C(C)C)c(c(c1)C(C)C) [S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O) N3CCN(CC3)C(=O)CCN; CC(C)c1cc(c(c(c1)C(C )C)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3 CCN(CC3)C(=O)CCN)C(C)C; O=C(N3CCN(C(=O)C (NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C c2cc(C(=[N@H])N)ccc2)CC3)CCN; CC(C)c1cc( c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2 )C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C |
[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE; [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE |
| 43550 |  UKQ |
1 | C7 H12 O5 | InChI=1S/C7H12O5/c8-1-2-3 (9)4(10)5(11)7-6(2)12-7/h 2-11H,1H2/t2-,3-,4+,5+,6+ ,7-/m1/s1; YQLWKYQDOQEWRD-BYNCVWKDSA-N |
OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12 ; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C @H]1O2)O)O)O)O; OC[C@@H]1[C@@H](O)[C@H]( O)[C@H](O)[C@H]2O[C@@H]12; C(C1C(C(C(C2C 1O2)O)O)O)O |
(1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol; (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol; epi-manno-cyclophellitol |
| 43551 |  UKR CHEMBL5280882 |
6 | C31 H40 F2 N2 O4 S | InChI=1S/C31H40F2N2O4S/c3 2-26-6-8-28(9-7-26)40(38, 39)17-12-23-10-15-34(16-1 1-23)19-25-20-35(22-31(30 (36)37)13-1-2-14-31)21-29 (25)24-4-3-5-27(33)18-24/ h3-9,18,23,25,29H,1-2,10- 17,19-22H2,(H,36,37)/t25- ,29+/m0/s1; JLKKIAYYHXNZIY-ABYGYWHVSA-N |
Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC 2(CCCC2)C(=O)O)CC1c1cccc(F)c1; OC(=O)C1( CCCC1)CN2C[CH](CN3CCC(CC3)CC[S](=O)(=O)c 4ccc(F)cc4)[CH](C2)c5cccc(F)c5; c1cc(cc( c1)F)C2CN(CC2CN3CCC(CC3)CCS(=O)(=O)c4ccc (cc4)F)CC5(CCCC5)C(=O)O; c1cc(cc(c1)F)[C @H]2CN(C[C@@H]2CN3CCC(CC3)CCS(=O)(=O)c4c cc(cc4)F)CC5(CCCC5)C(=O)O; OC(=O)C1(CCCC 1)CN2C[C@H](CN3CCC(CC3)CC[S](=O)(=O)c4cc c(F)cc4)[C@H](C2)c5cccc(F)c5 |
1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid |
| 43552 |  UKS CHEMBL4876525 |
2 | C20 H27 B N4 O4 | InChI=1S/C20H27BN4O4/c1-2 -7-16(24-20(27)17-14-22-1 2-13-23-17)19(26)25-18(21 (28)29)11-6-10-15-8-4-3-5 -9-15/h3-5,8-9,12-14,16,1 8,28-29H,2,6-7,10-11H2,1H 3,(H,24,27)(H,25,26)/t16- ,18+/m1/s1; KSQVGVMZECCPAT-AEFFLSMTSA-N |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC Cc2ccccc2)B(O)O; B([C@H](CCCc1ccccc1)NC( =O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O; CCC[C H](NC(=O)c1cnccn1)C(=O)N[CH](CCCc2ccccc2 )B(O)O; B(C(CCCc1ccccc1)NC(=O)C(CCC)NC(= O)c2cnccn2)(O)O; C(CCC)(NC(c1cnccn1)=O)C (=O)NC(B(O)O)CCCc2ccccc2 |
[(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid |
| 43553 |  UKT |
1 | C7 H14 O5 | InChI=1S/C7H14O5/c8-2-3-4 (9)1-5(10)7(12)6(3)11/h3- 12H,1-2H2/t3-,4+,5+,6+,7+ /m0/s1; RRGKETGQYFXIFR-CQOGJGKDSA-N |
OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O; C1[ C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO )O; C1C(C(C(C(C1O)O)O)CO)O; OC[C@H]1[C@H ](O)C[C@@H](O)[C@@H](O)[C@@H]1O |
(1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol; (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
| 43554 |  UKU ZINC000301054534 |
2 | C21 H34 N6 O16 P2 | InChI=1S/C21H34N6O16P2/c1 -7(2)12(30)15(33)19(34)26 -45(38,39)42-10-3-8(29)20 (41-10)27-6-24-11-17(22-5 -23-18(11)27)25-44(36,37) 43-16-14(32)13(31)9(4-28) 40-21(16)35/h5-10,12-16,2 0-21,28-33,35H,3-4H2,1-2H 3,(H2,26,34,38,39)(H2,22, 23,25,36,37)/t8-,9+,10+,1 2-,13+,14-,15+,16+,20+,21 -/m0/s1; KOMSNTWZRZGGEF-IPMHYPRDSA-N |
CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH] 1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH ]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23; CC(C)[C@H](O)[C@@H](O)C(=O)N[P](O)(=O)O[ C@@H]1C[C@H](O)[C@@H](O1)n2cnc3c(N[P](O) (=O)O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[ C@@H]4O)ncnc23; CC(C)[C@@H]([C@H](C(=O)N P(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3 c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@ H](O[C@@H]4O)CO)O)O)O)O)O; CC(C)C(C(C(=O )NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O) (O)OC4C(C(C(OC4O)CO)O)O)O)O)O |
[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid; Agrocin 84 (alpha-D-glucopyranose form) |
| 43555 |  UKV CHEMBL402427 ZINC000016989176 |
2 | C11 H9 N O2 S2 | InChI=1S/C11H9NO2S2/c1-14 -8-4-2-3-7(5-8)6-9-10(13) 12-11(15)16-9/h2-6H,1H3,( H,12,13,15)/b9-6-; ZXBRDIMYFRPBGK-TWGQIWQCSA-N |
COc1cccc(c1)C=C2C(=O)NC(=S)S2; COc1cccc( c1)/C=C\2/C(=O)NC(=S)S2; COc2cccc([C@H]= C1C(NC(S1)=S)=O)c2; COc1cccc(c1)/C=C/2SC (=S)NC/2=O; COc1cccc(c1)C=C2SC(=S)NC2=O |
(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| 43556 |  UKW ZINC000058649341 |
5 | C13 H12 N2 O4 | InChI=1S/C13H12N2O4/c1-3- 9-4-6-10(7-5-9)12(17)14-1 1(8(2)16)13(18)15-19/h1,4 -8,11,16H,2H3,(H,14,17)/t 8-,11+/m1/s1; JJXZDQZGPLQGCP-KCJUWKMLSA-N |
C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C #C)O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C (=O)N=O; O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C )cc1; CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C) O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C (=O)N=O |
4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide |
| 43557 |  UKX CHEMBL1286 DB01202 ZINC000001547851 |
8 | C8 H14 N2 O2 | InChI=1S/C8H14N2O2/c1-2-6 (8(9)12)10-5-3-4-7(10)11/ h6H,2-5H2,1H3,(H2,9,12)/t 6-/m0/s1; HPHUVLMMVZITSG-LURJTMIESA-N |
CC[CH](N1CCCC1=O)C(N)=O; CC[C@H](N1CCCC1 =O)C(N)=O; CCC(C(=O)N)N1CCCC1=O; CC[C@@H ](C(=O)N)N1CCCC1=O |
(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide; levetiracetam |
| 43558 |  UKY |
0 | C5 H9 N4 O5 P | InChI=1S/C5H9N4O5P/c6-3(5 (10)11)2-9-4(1-7-8-9)15(1 2,13)14/h1,3H,2,6H2,(H,10 ,11)(H2,12,13,14)/t3-/m0/ s1; HPSKGWJBNSTWIZ-VKHMYHEASA-N |
c1c(n(nn1)CC(C(=O)O)N)P(=O)(O)O; c1c(n(n n1)C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH](Cn1 nncc1[P](O)(O)=O)C(O)=O; N[C@@H](Cn1nncc 1[P](O)(O)=O)C(O)=O; C(O)(C(N)Cn1c(P(=O) (O)O)cnn1)=O |
3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine |
| 43559 |  UKZ CHEMBL4875583 |
1 | C21 H23 Cl N2 O3 | InChI=1S/C21H23ClN2O3/c1- 3-6-18(20(26)13-7-4-9-16( 22)12(13)2)24-21(27)14-8- 5-10-17-15(14)11-19(25)23 -17/h4-5,7-10,18,20,26H,3 ,6,11H2,1-2H3,(H,23,25)(H ,24,27)/t18-,20+/m1/s1; MQQHOEONXLJMLA-QUCCMNQESA-N |
CCC[C@@H](NC(=O)c1cccc2NC(=O)Cc12)[C@@H] (O)c3cccc(Cl)c3C; CCC[C@H]([C@H](c1cccc( c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3; CCCC(C (c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 ; CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O )c3cccc(Cl)c3C |
N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide; ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide; N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide |
| 43560 |  UL0 CHEMBL5271123 |
6 | C32 H47 F N4 O2 | InChI=1S/C32H47FN4O2/c1-4 -27-29(5-2)34-37(6-3)30(2 7)23-12-16-35(17-13-23)19 -25-20-36(22-32(31(38)39) 14-7-8-15-32)21-28(25)24- 10-9-11-26(33)18-24/h9-11 ,18,23,25,28H,4-8,12-17,1 9-22H2,1-3H3,(H,38,39)/t2 5-,28+/m0/s1; PCCHYTAFAXFIAW-LBNVMWSVSA-N |
CCc1nn(CC)c(c1CC)C1CCN(CC2CN(CC3(CCCC3)C (=O)O)CC2c2cccc(F)c2)CC1; CCc1c(nn(c1C2C CN(CC2)CC3CN(CC3c4cccc(c4)F)CC5(CCCC5)C( =O)O)CC)CC; CCn1nc(CC)c(CC)c1C2CCN(CC2)C [C@H]3CN(C[C@@H]3c4cccc(F)c4)CC5(CCCC5)C (O)=O; CCc1c(nn(c1C2CCN(CC2)C[C@H]3CN(C[ C@@H]3c4cccc(c4)F)CC5(CCCC5)C(=O)O)CC)CC ; CCn1nc(CC)c(CC)c1C2CCN(CC2)C[CH]3CN(C[ CH]3c4cccc(F)c4)CC5(CCCC5)C(O)=O |
1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid |
| 43561 |  UL1 CHEMBL255130 ZINC000001236992 |
2 | C12 H11 N O3 S2 | InChI=1S/C12H11NO3S2/c1-1 5-8-4-3-7(5-9(8)16-2)6-10 -11(14)13-12(17)18-10/h3- 6H,1-2H3,(H,13,14,17)/b10 -6-; XVAIHVYMCLRIOV-POHAHGRESA-N |
COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2; COc1ccc (cc1OC)/C=C\2/C(=O)NC(=S)S2; COc1ccc(cc1 OC)\C=C\2SC(=S)NC\2=O; COc1ccc(cc1OC)C=C 2SC(=S)NC2=O; COc2ccc([C@H]=C1C(=O)NC(=S )S1)cc2OC |
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| 43562 |  UL2 CHEMBL4869401 |
1 | C20 H22 N2 O4 | InChI=1S/C20H22N2O4/c1-3- 6-15(18(23)14-8-5-4-7-12( 14)2)21-19(24)13-9-10-17- 16(11-13)22-20(25)26-17/h 4-5,7-11,15,18,23H,3,6H2, 1-2H3,(H,21,24)(H,22,25)/ t15-,18+/m1/s1; SNFRXTGIONJORR-QAPCUYQASA-N |
CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(= O)O3; CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c 2ccc3c(c2)NC(=O)O3; CCC[C@@H](NC(=O)c1cc c2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C; CCC[CH ](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc 3C |
N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide; ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide; N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide |
| 43563 |  UL4 CHEMBL3770150 ZINC000263620456 |
1 | C18 H17 N O5 | InChI=1S/C18H17NO5/c1-3-2 4-16-8-7-12(11(2)20)10-15 (16)19-17(21)13-5-4-6-14( 9-13)18(22)23/h4-10H,3H2, 1-2H3,(H,19,21)(H,22,23); GFOBMGVVDGTGAJ-UHFFFAOYSA-N |
CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O) C; CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C( C)=O; O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC )C(=O)C |
3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid |
| 43564 |  UL5 CHEMBL4849578 |
1 | C19 H21 N3 O2 | InChI=1S/C19H21N3O2/c1-12 -8-16(12)22-18(23)14-10-1 5(9-13-6-4-3-5-7-13)21-17 (11-14)19(24)20-2/h3-7,10 -12,16H,8-9H2,1-2H3,(H,20 ,24)(H,22,23)/t12-,16-/m0 /s1; QEPZFLZVHFIDCF-LRDDRELGSA-N |
CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3 C[C@@H]3C; C[C@H]1C[C@@H]1NC(=O)c2cc(nc( c2)C(=O)NC)Cc3ccccc3; CNC(=O)c1cc(cc(Cc2 ccccc2)n1)C(=O)N[CH]3C[CH]3C; CC1CC1NC(= O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 |
~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
| 43565 |  UL6 |
1 | C13 H23 N O8 | InChI=1S/C13H23NO8/c1-7(1 6)14-10-12(18)11(17)9(4-1 5)22-13(10)21-6-8-5-19-2- 3-20-8/h8-13,15,17-18H,2- 6H2,1H3,(H,14,16)/t8-,9+, 10+,11+,12+,13+/m0/s1; WYEPHXYJGRPYCT-ZRFFIENRSA-N |
CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O; CC( =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[ C@@H]2COCCO2)CO)O)O; CC(=O)N[C@@H]1[C@@H ](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@H]2CO CCO2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO 1; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C H]1OC[CH]2COCCO2 |
[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 43566 |  UL7 CHEMBL2335188 ZINC000095591903 |
2 | C17 H24 Br Cl N2 O2 | InChI=1S/C17H24BrClN2O2/c 18-16-10-13(19)9-12(17(16 )23)11-20-5-1-14(2-6-20)2 1-7-3-15(22)4-8-21/h9-10, 14-15,22-23H,1-8,11H2; UPKDBIXMTVKMCL-UHFFFAOYSA-N |
c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)C l; OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c 3O |
1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] |
| 43567 |  UL8 CHEMBL4871396 |
1 | C20 H22 N4 O2 | InChI=1S/C20H22N4O2/c1-4- 21-20(25)16-10-11-19(17(1 2-16)18-13-24(3)23-22-18) 26-14(2)15-8-6-5-7-9-15/h 5-14H,4H2,1-3H3,(H,21,25) /t14-/m0/s1; VZVLEUYPQRNNJB-AWEZNQCLSA-N |
CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccc cc3; CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1 )c3cn(C)nn3; CCNC(=O)c1ccc(O[C@@H](C)c2c cccc2)c(c1)c3cn(C)nn3; CCNC(=O)c1ccc(c(c 1)c2cn(nn2)C)O[C@@H](C)c3ccccc3 |
~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide |
| 43568 |  UL9 CHEMBL233248 ZINC000001687017 |
4 | C4 H5 N S | InChI=1S/C4H5NS/c1-2-3-5- 4-6/h2H,1,3H2; ZOJBYZNEUISWFT-UHFFFAOYSA-N |
C=CCN=C=S; C=CC\N=C=S | 3-isothiocyanatoprop-1-ene |
| 43569 |  ULA |
1 | C46 H66 N4 O13 | InChI=1S/C46H66N4O13/c1-2 7(16-17-38(55)30(4)44(62- 32(6)52)28(2)18-19-50(7)2 6-51)40(58-9)22-41-31(5)3 9(57-8)14-11-15-42-47-36( 24-59-42)45-49-37(25-61-4 5)46-48-35(23-60-46)29(3) 20-33(53)12-10-13-34(54)2 1-43(56)63-41/h11,15,18-1 9,23-25,27-31,34,39-41,44 ,51,54H,10,12-14,16-17,20 -22,26H2,1-9H3/b15-11+,19 -18?/t27-,28?,29-,30+,31+ ,34-,39-,40-,41-,44?/m0/s 1; DIOFXPZEAVIPDB-GSMFZUCRSA-N |
CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2) -c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C (C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O; C[C@H]1 CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H ](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC) C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H] ([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O; CO[C @@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C @H](C)c2coc(n2)c3coc(n3)c4coc(\C=C\C[C@H ](OC)[C@H]1C)n4)[C@@H](C)CCC(=O)[C@@H](C )C(OC(C)=O)C(C)C=CN(C)CO; O=C(OC(C(/C=C\ N(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O )CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C =CCC(OC)C4C)C)C)C; CO[CH](C[CH]1OC(=O)C[ CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3) c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(= O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO |
ULAPUALIDE A |
| 43570 |  ULB CHEMBL4851810 |
1 | C16 H15 N3 O | InChI=1S/C16H15N3O/c1-12- 17-16(19-18-12)14-9-5-6-1 0-15(14)20-11-13-7-3-2-4- 8-13/h2-10H,11H2,1H3,(H,1 7,18,19); NPTNHLPXAAOUPO-UHFFFAOYSA-N |
Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole |
| 43571 |  ULC CHEMBL1591365 DB19985 ZINC000000013936 |
1 | C18 H20 N2 O2 S | InChI=1S/C18H20N2O2S/c1-2 0(16-8-5-9-17(19-16)21-2) 18(23)22-15-11-10-13-6-3- 4-7-14(13)12-15/h5,8-12H, 3-4,6-7H2,1-2H3; VPHPQNGOVQYUMG-UHFFFAOYSA-N |
CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3; COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 |
~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
| 43572 |  ULD |
1 | C15 H12 F5 N O4 S | InChI=1S/C15H12F5NO4S/c16 -14(17)5-9-10(25-8-3-7(4- 8)6-21)1-2-11(12(9)13(14) 22)26(23,24)15(18,19)20/h 1-2,7-8,13,22H,3-5H2/t7-, 8+,13-/m0/s1; CWCXJGVIPMKNIF-DAROEXNTSA-N |
N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)( =O)C(F)(F)F; c1cc(c2c(c1OC3CC(C3)C#N)CC( C2O)(F)F)S(=O)(=O)C(F)(F)F; c1cc(c2c(c1O C3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F )(F)F; O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C 3)C#N)ccc2[S](=O)(=O)C(F)(F)F; O[C@H]1c2 c(CC1(F)F)c(O[C@H]3C[C@H](C3)C#N)ccc2[S] (=O)(=O)C(F)(F)F |
cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile |
| 43573 |  ULE CHEMBL4860220 |
1 | C19 H21 N3 O2 | InChI=1S/C19H21N3O2/c1-12 (13-6-4-3-5-7-13)16-10-14 (18(23)21-15-8-9-15)11-17 (22-16)19(24)20-2/h3-7,10 -12,15H,8-9H2,1-2H3,(H,20 ,24)(H,21,23)/t12-/m0/s1; VGUKTEKHFHLCSV-LBPRGKRZSA-N |
C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O )NC3CC3; CNC(=O)c1cc(cc(n1)[C@@H](C)c2cc ccc2)C(=O)NC3CC3; CNC(=O)c1cc(cc(n1)[CH] (C)c2ccccc2)C(=O)NC3CC3; CC(c1ccccc1)c2c c(cc(n2)C(=O)NC)C(=O)NC3CC3 |
~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
| 43574 |  ULF ZINC000098209496 |
0 | C11 H14 F N2 O8 P | InChI=1S/C11H14FN2O8P/c12 -5-3-11(4-21-23(18,19)20) 8(16)7(5)9(22-11)14-2-1-6 (15)13-10(14)17/h1-2,5,7- 9,16H,3-4H2,(H,13,15,17)( H2,18,19,20)/t5-,7-,8+,9- ,11-/m1/s1; INQRQYVGAIORTC-QVPLNXPXSA-N |
C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O) O)O)F; O[C@H]1[C@H]2[C@H](F)C[C@]1(CO[P] (O)(O)=O)O[C@H]2N3C=CC(=O)NC3=O; C1[C@H] ([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC 3=O)COP(=O)(O)O)O)F; O=P(O)(O)OCC23OC(N1 C(=O)NC(=O)C=C1)C(C(F)C2)C3O; O[CH]1[CH] 2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC (=O)NC3=O |
[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| 43575 |  ULG CHEMBL5896692 |
1 | C16 H11 F5 O2 | InChI=1S/C16H11F5O2/c17-8 -5-9(18)7-10(6-8)23-14-4- 2-12(16(19,20)21)15-11(14 )1-3-13(15)22/h2,4-7,13,2 2H,1,3H2/t13-/m1/s1; WYQNGHURDXWRST-CYBMUJFWSA-N |
O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F) (F)F; c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)O c3cc(cc(c3)F)F; O[C@@H]1CCc2c(Oc3cc(F)cc (F)c3)ccc(c12)C(F)(F)F; FC(F)(F)c1ccc(c2 c1C(O)CC2)Oc3cc(F)cc(c3)F; c1cc(c2c(c1C( F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F |
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol |
| 43576 |  ULH CHEMBL4644310 |
1 | C19 H21 N3 O3 | InChI=1S/C19H21N3O3/c1-12 (13-6-4-3-5-7-13)22-11-14 (17(23)21-15-8-9-15)10-16 (19(22)25)18(24)20-2/h3-7 ,10-12,15H,8-9H2,1-2H3,(H ,20,24)(H,21,23)/t12-/m1/ s1; AYQUCQJYWKQBRS-GFCCVEGCSA-N |
C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C (=O)NC3CC3; CNC(=O)C1=CC(=CN([CH](C)c2cc ccc2)C1=O)C(=O)NC3CC3; CNC(=O)C1=CC(=CN( [C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3; CC(c1 ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC 3 |
~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide |
| 43577 |  ULI ZINC000006921185 |
0 | C40 H82 | InChI=1S/C40H82/c1-3-5-7- 9-11-13-15-17-19-21-23-25 -27-29-31-33-35-37-39-40- 38-36-34-32-30-28-26-24-2 2-20-18-16-14-12-10-8-6-4 -2/h3-40H2,1-2H3; KUPLEGDPSCCPJI-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ; C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC CCCC |
tetracontane; n-Tetracontane |
| 43578 |  ULJ CHEMBL1610544 ZINC000002689543 |
8 | C18 H17 Br F N5 O3 | InChI=1S/C18H17BrFN5O3/c1 -27-12-5-6-15(28-2)14(8-1 2)22-18(26)16-17(21)25(24 -23-16)9-10-3-4-11(19)7-1 3(10)20/h3-8H,9,21H2,1-2H 3,(H,22,26); RAVNFJBKYUTEIC-UHFFFAOYSA-N |
COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F) c2N)c1; COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3 ccc(cc3F)Br)N)OC; COc3ccc(OC)c(NC(=O)c2c (N)n(Cc1c(F)cc(cc1)Br)nn2)c3 |
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| 43579 |  ULK |
1 | C19 H21 N3 O3 | InChI=1S/C19H21N3O3/c1-11 -8-14(11)22-18(24)13-9-15 (21-16(10-13)19(25)20-2)1 7(23)12-6-4-3-5-7-12/h3-7 ,9-11,14,17,23H,8H2,1-2H3 ,(H,20,25)(H,22,24)/t11-, 14-,17-/m0/s1; OJSKWCXPUVTNCF-YLVFBTJISA-N |
CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc 3)O; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(= O)NC)[C@H](c3ccccc3)O; CNC(=O)c1cc(cc(n1 )[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C; CNC (=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[ C@H]3C[C@@H]3C |
~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
| 43580 |  ULL |
1 | C26 H24 Br N3 O3 | InChI=1S/C26H24BrN3O3/c1- 17(2)33-26(32)28-22-14-10 -18(11-15-22)23-16-24(19- 6-4-3-5-7-19)30(29-23)25( 31)20-8-12-21(27)13-9-20/ h3-15,17,24H,16H2,1-2H3,( H,28,32)/t24-/m0/s1; RWCWONWFSWXBCW-DEOSSOPVSA-N |
CC(C)OC(=O)Nc1ccc(cc1)C2=NN([CH](C2)c3cc ccc3)C(=O)c4ccc(Br)cc4; CC(C)OC(=O)Nc1cc c(cc1)C2=NN(C(C2)c3ccccc3)C(=O)c4ccc(cc4 )Br; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C@@H]( C2)c3ccccc3)C(=O)c4ccc(Br)cc4; O=C(c1ccc (Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC (C)C)cc1; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C @@H](C2)c3ccccc3)C(=O)c4ccc(cc4)Br |
propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate |
| 43581 |  ULM |
1 | C13 H11 F6 N O2 | InChI=1S/C13H11F6NO2/c14- 7-1-6-8(22-5-2-12(15,16)3 -5)4-20-11(13(17,18)19)9( 6)10(7)21/h4-5,7,10,21H,1 -3H2/t7-,10-/m1/s1; PUEJLMQBKXIGPV-GMSGAONNSA-N |
O[C@@H]1[C@H](F)Cc2c(OC3CC(F)(F)C3)cnc(c 12)C(F)(F)F; c1(cnc(c2c1CC(C2O)F)C(F)(F) F)OC3CC(C3)(F)F; O[CH]1[CH](F)Cc2c(OC3CC (F)(F)C3)cnc(c12)C(F)(F)F; c1c(c2c(c(n1) C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F; c1c(c 2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC 3CC(C3)(F)F |
(6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol |
| 43582 |  ULN CHEMBL4873182 |
1 | C21 H23 N3 O3 | InChI=1S/C21H23N3O3/c1-12 (13-6-4-3-5-7-13)17-8-14( 9-18(23-17)21(26)22-2)20( 25)24-19-15-10-27-11-16(1 5)19/h3-9,12,15-16,19H,10 -11H2,1-2H3,(H,22,26)(H,2 4,25)/t12-,15-,16+,19+/m0 /s1; VTIIKJCRYRUFLT-NALNUFGESA-N |
CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O )NC3[C@@H]4COC[C@H]34; C[C@@H](c1ccccc1) c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3 COC4; CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2) C(=O)NC3[CH]4COC[CH]34; CC(c1ccccc1)c2cc (cc(n2)C(=O)NC)C(=O)NC3C4C3COC4 |
~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
| 43583 |  ULO CHEMBL6053539 |
12 | C15 H33 O P | InChI=1S/C15H33OP/c1-6-7- 8-9-10-11-12-13-17(16,14( 2)3)15(4)5/h14-15H,6-13H2 ,1-5H3; DHOTYMJGZIUWRT-UHFFFAOYSA-N |
CCCCCCCCC[P](=O)(C(C)C)C(C)C; CCCCCCCCCP (=O)(C(C)C)C(C)C; O=P(CCCCCCCCC)(C(C)C)C (C)C |
nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane |
| 43584 |  ULP ZINC000263620549 |
2 | C25 H34 N5 O22 P3 | InChI=1S/C25H34N5O22P3/c1 -9-17(33)12(11(5-26-9)7-4 7-53(40,41)42)6-27-15-16( 28-10(2)31)24(50-21(19(15 )35)23(37)38)51-55(45,46) 52-54(43,44)48-8-13-18(34 )20(36)22(49-13)30-4-3-14 (32)29-25(30)39/h3-6,13,1 5-16,18-22,24,33-36H,7-8H 2,1-2H3,(H,28,31)(H,37,38 )(H,43,44)(H,45,46)(H,29, 32,39)(H2,40,41,42)/b27-6 +/t13-,15-,16-,18-,19+,20 -,21+,22-,24-/m1/s1; IGKBPIFLZAFLLV-IOECPDIJSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O )C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N 4C=CC(=O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C (=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC (C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O) (O)O)C4NC(=O)C)O)O; Cc1c(c(c(cn1)COP(=O) (O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@ H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N C4=O)O)O)NC(=O)C)O; CC(=O)N[CH]1[CH](O[C H]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O) (O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH ]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O; C C(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@H ]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O) O[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@ H](O)[C@@H]3O)N4C=CC(=O)NC4=O |
(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
| 43585 |  ULQ |
1 | C21 H23 N3 O4 | InChI=1S/C21H23N3O4/c1-22 -21(26)17-9-13(20(25)24-1 8-14-10-28-11-15(14)18)8- 16(23-17)19(27-2)12-6-4-3 -5-7-12/h3-9,14-15,18-19H ,10-11H2,1-2H3,(H,22,26)( H,24,25)/t14-,15+,18+,19- /m0/s1; XRABYUHHDSKQAA-SFUIVIKGSA-N |
CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O) NC3[CH]4COC[CH]34; CNC(=O)c1cc(cc(n1)C(c 2ccccc2)OC)C(=O)NC3C4C3COC4; CNC(=O)c1cc (cc(n1)[C@@H](OC)c2ccccc2)C(=O)NC3[C@H]4 COC[C@@H]34; CNC(=O)c1cc(cc(n1)[C@H](c2c cccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4 |
6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide |
| 43586 |  ULR CHEMBL4075534 |
0 | C20 H23 F N6 O | InChI=1S/C20H23FN6O/c1-3- 14-11-26(7-6-22-14)15-4-5 -16(17(21)8-15)20(28)25-1 8-12-27-10-13(2)24-19(27) 9-23-18/h4-5,8-10,12,14,2 2H,3,6-7,11H2,1-2H3,(H,25 ,28)/t14-/m0/s1; FWJHZBXJJJTEFO-AWEZNQCLSA-N |
CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4c c(C)nc4cn3; CC[C@H]1CN(CCN1)c2ccc(c(c2)F )C(=O)Nc3cn4cc(nc4cn3)C; CCC1CN(CCN1)c2c cc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C; CC[C@H ]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)n c4cn3 |
4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide; SMN-CY |
| 43587 |  ULS |
1 | C16 H10 F4 N2 O2 | InChI=1S/C16H10F4N2O2/c17 -9-3-8(6-21)4-10(5-9)24-1 3-7-22-15(16(18,19)20)14- 11(13)1-2-12(14)23/h3-5,7 ,12,23H,1-2H2/t12-/m1/s1; QJVMUDSPENWIOV-GFCCVEGCSA-N |
c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C# N; c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F )F)F)C#N; O[C@@H]1CCc2c(Oc3cc(F)cc(c3)C# N)cnc(c12)C(F)(F)F; N#Cc1cc(cc(c1)Oc2cnc (c3c2CCC3O)C(F)(F)F)F; O[CH]1CCc2c(Oc3cc (F)cc(c3)C#N)cnc(c12)C(F)(F)F |
3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile |
| 43588 |  ULT CHEMBL5197292 |
1 | C22 H14 Cl F3 N2 O4 | InChI=1S/C22H14ClF3N2O4/c 23-17-3-1-2-16(22(24,25)2 6)18(17)19-15(20(32-28-19 )13-8-9-27-10-13)11-31-14 -6-4-12(5-7-14)21(29)30/h 1-10,27H,11H2,(H,29,30); NZRBQNXUTCVFCO-UHFFFAOYSA-N |
c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4 ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc(OCc 2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)c c1 |
4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid; FM156 |
| 43589 |  ULU |
1 | C29 H38 N15 O8 | InChI=1S/C29H38N15O8/c30- 24-18-26(36-11-34-24)43(1 3-38-18)28-22(49)20(47)14 (51-28)9-42(8-2-5-33-17(4 6)4-6-39-41-32)7-1-3-16-4 0-19-25(31)35-12-37-27(19 )44(16)29-23(50)21(48)15( 10-45)52-29/h11-15,20-23, 28-29,32,45,47-50H,2,4-10 H2,(H,33,46)(H2,30,34,36) (H2,31,35,37)/t14-,15+,20 +,21+,22+,23+,28-,29-/m0/ s1; AQRCSRFKUBGJHG-CGQYPDDYSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=O)C CN=[N]=N)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH]( CO)[CH](O)[CH]6O)[CH](O)[CH]3O; c1nc(c2c (n1)n(cn2)C3C(C(C(O3)CN(CCCNC(=O)CCN=[N] =N)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N )O)O)N; Nc1ncnc2n(cnc12)[C@H]3O[C@@H](CN (CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(N)ncnc5n4 [C@H]6O[C@@H](CO)[C@@H](O)[C@H]6O)[C@@H] (O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@ H]([C@@H]([C@H](O3)CN(CCCNC(=O)CCN=[N]=N )CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([ C@H](O6)CO)O)O)N)O)O)N |
~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide |
| 43590 |  ULV CHEMBL4749037 |
1 | C26 H22 F3 N7 O3 | InChI=1S/C26H22F3N7O3/c27 -26(28,29)17-7-8-31-19(11 -17)33-24(37)15-3-1-14(2- 4-15)20-21-22(30)32-9-10- 35(21)23(34-20)16-5-6-18- 13-39-25(38)36(18)12-16/h 1-4,7-11,16,18H,5-6,12-13 H2,(H2,30,32)(H,31,33,37) /t16-,18+/m1/s1; CDISOBGWDHAHGF-AEFFLSMTSA-N |
Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C (F)(F)F)c12)[CH]5CC[CH]6COC(=O)N6C5; Nc1 nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F) (F)F)c12)[C@@H]5CC[C@H]6COC(=O)N6C5; c1c c(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC (=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1c (c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc( C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N; c1cc(ccc 1c2c3c(nccn3c(n2)C4CCC5COC(=O)N5C4)N)C(= O)Nc6cc(ccn6)C(F)(F)F |
4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
| 43591 |  ULW |
1 | C22 H35 N O4 | InChI=1S/C22H35NO4/c1-17( 2)7-5-8-18(3)9-6-10-19(4) 14-16-27-22(26)13-15-23-2 0(24)11-12-21(23)25/h9,14 ,17H,5-8,10-13,15-16H2,1- 4H3/b18-9-,19-14-; UEVQPHSWLLGCMH-WALGPUPZSA-N |
CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CC C1=O)/C)/C; CC(C)CCCC(C)=CCCC(C)=CCOC(=O )CCN1C(=O)CCC1=O; CC(C)CCCC(=CCCC(=CCOC( =O)CCN1C(=O)CCC1=O)C)C; CC(C)CCCC(\C)=C/ CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O |
[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate |
| 43592 |  ULX |
1 | C29 H31 F3 N4 O3 | InChI=1S/C29H31F3N4O3/c30 -29(31,32)23-8-5-20(6-9-2 3)14-28(18-34-26-10-7-21( 17-37)13-27(26)36(38)39)1 1-12-35(19-28)16-22-15-33 -25-4-2-1-3-24(22)25/h1-1 0,13,15,33-34,37-39H,11-1 2,14,16-19H2/t28-/m0/s1; IYYLJCBCDAMUPF-NDEPHWFRSA-N |
c1ccc2c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4ccc (cc4)C(F)(F)F)CNc5ccc(cc5N(O)O)CO; FC(F) (F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C 1)CNc1ccc(CO)cc1N(O)O; c1ccc2c(c1)c(c[nH ]2)CN3CCC(C3)(Cc4ccc(cc4)C(F)(F)F)CNc5cc c(cc5N(O)O)CO; OCc1ccc(NC[C]2(CCN(Cc3c[n H]c4ccccc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1) N(O)O; OCc1ccc(NC[C@]2(CCN(Cc3c[nH]c4ccc cc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)N(O)O |
[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol |
| 43593 |  ULY CHEMBL4114929 |
2 | C28 H26 F3 N7 O3 | InChI=1S/C28H26F3N7O3/c1- 41-20-12-15(27(40)35-21-1 3-17(8-9-33-21)28(29,30)3 1)3-6-19(20)23-24-25(32)3 4-10-11-37(24)26(36-23)16 -2-4-18-5-7-22(39)38(18)1 4-16/h3,6,8-13,16,18H,2,4 -5,7,14H2,1H3,(H2,32,34)( H,33,35,40)/t16-,18+/m1/s 1; OMIQRSKHABIPRH-AEFFLSMTSA-N |
COc1cc(ccc1c2c3c(nccn3c(n2)C4CCC5CCC(=O) N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1ccn2c (c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC) C(Nc6nccc(c6)C(F)(F)F)=O; COc1cc(ccc1c2c 3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4) N)C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c 2nc([CH]3CC[CH]4CCC(=O)N4C3)n5ccnc(N)c25 )C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c2 nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n5ccnc(N)c 25)C(=O)Nc6cc(ccn6)C(F)(F)F |
4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
| 43594 |  ULZ CHEMBL5209191 |
1 | C18 H19 Br N4 O | InChI=1S/C18H19BrN4O/c19- 14-2-4-17-16(11-14)13(12- 21-17)1-3-15-5-6-20-18(22 -15)23-7-9-24-10-8-23/h2, 4-6,11-12,21H,1,3,7-10H2; LPEIQZYVQYBIQO-UHFFFAOYSA-N |
c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOC C4; Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4) c2c1 |
4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
| 43595 |  UM0 ZINC000013545200 |
0 | C14 H24 N2 O9 | InChI=1S/C14H24N2O9/c1-5( 13(21)22)15-12(20)6(2)24- 11-9(16-7(3)18)14(23)25-8 (4-17)10(11)19/h5-6,8-11, 14,17,19,23H,4H2,1-3H3,(H ,15,20)(H,16,18)(H,21,22) /t5-,6+,8+,9+,10+,11+,14- /m0/s1; ICMUIFDBEVJCQA-GFBFODDVSA-N |
C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C @H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C; C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO) O[CH](O)[CH]1NC(C)=O)C(O)=O; O=C(O)C(NC( =O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C; CC( C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(= O)C; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H]( O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O) =O |
(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid |
| 43596 |  UM1 |
0 | C8 H15 N3 O4 | InChI=1S/C8H15N3O4/c1-4(1 0-6(12)3-9)7(13)11-5(2)8( 14)15/h4-5H,3,9H2,1-2H3,( H,10,12)(H,11,13)(H,14,15 )/t4-,5-/m1/s1; PYTZFYUXZZHOAD-RFZPGFLSSA-N |
C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(O)=O; O=C(NC(C(=O)O)C)C(NC(=O)CN)C; C[CH](NC(= O)[CH](C)NC(=O)CN)C(O)=O; C[C@H](C(=O)N[ C@H](C)C(=O)O)NC(=O)CN; CC(C(=O)NC(C)C(= O)O)NC(=O)CN |
(2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid; glycyl-D-alanyl-D-alanine |
| 43597 |  UM2 ZINC000011957321 |
2 | C7 H16 N2 O | InChI=1S/C7H16N2O/c1-3-4- 5-9-7(10)6(2)8/h6H,3-5,8H 2,1-2H3,(H,9,10)/t6-/m0/s 1; XXYQJGUBGFEJMV-LURJTMIESA-N |
CCCCNC(=O)C(C)N; CCCCNC(=O)[CH](C)N; O=C (NCCCC)C(N)C; CCCCNC(=O)[C@H](C)N |
(2S)-2-amino-N-butyl-propanamide; N-butyl-L-alaninamide |
| 43598 |  UM3 DB03448 ZINC000006524812 |
6 | C9 H13 N2 O8 P | InChI=1S/C9H13N2O8P/c12-4 -6-5(19-20(15,16)17)3-8(1 8-6)11-2-1-7(13)10-9(11)1 4/h1-2,5-6,8,12H,3-4H2,(H ,10,13,14)(H2,15,16,17)/t 5-,6+,8+/m0/s1; LXKGKXYIAAKOCT-SHYZEUOFSA-N |
C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO )OP(=O)(O)O; OC[CH]1O[CH](C[CH]1O[P](O)( O)=O)N2C=CC(=O)NC2=O; OC[C@H]1O[C@H](C[C @@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=C1N C(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO |
2'-DEOXYURIDINE 3'-MONOPHOSPHATE |
| 43599 |  UM4 CHEMBL4107779 |
2 | C30 H28 F3 N7 O3 | InChI=1S/C30H28F3N7O3/c31 -30(32,33)18-9-10-35-23(1 4-18)37-29(42)16-2-7-21(2 2(13-16)43-20-5-6-20)25-2 6-27(34)36-11-12-39(26)28 (38-25)17-1-3-19-4-8-24(4 1)40(19)15-17/h2,7,9-14,1 7,19-20H,1,3-6,8,15H2,(H2 ,34,36)(H,35,37,42)/t17-, 19+/m1/s1; WMMNTQFZCHUZSM-MJGOQNOKSA-N |
Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)Nc5cc( ccn5)C(F)(F)F)c12)[C@@H]6CC[C@H]7CCC(=O) N7C6; n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4) =O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7 CC7)N; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F) F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7 C6)N; Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O) Nc5cc(ccn5)C(F)(F)F)c12)[CH]6CC[CH]7CCC( =O)N7C6; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)( F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H ]7CCC(=O)N7C6)N |
4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
| 43600 |  UM5 CHEMBL4853894 |
1 | C18 H19 N5 O2 | InChI=1S/C18H19N5O2/c1-3- 19-18(24)13-7-8-17(25-12- 14-6-4-5-9-20-14)15(10-13 )16-11-23(2)22-21-16/h4-1 1H,3,12H2,1-2H3,(H,19,24); PXCVJESJJFPBNT-UHFFFAOYSA-N |
CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3 ; CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3cccc n3 |
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide; ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |