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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 38201 | QAZ CHEMBL4787240 |
1 | C21 H29 N5 O2 | InChI=1S/C21H29N5O2/c1-13 -11-14-7-10-23-19(18(14)2 6-20(13)27)25-17-8-9-22-1 2-16(17)21(28)24-15-5-3-2 -4-6-15/h7,10-11,15-17,22 H,2-6,8-9,12H2,1H3,(H,23, 25)(H,24,28)(H,26,27)/t16 -,17-/m1/s1; IKBQHNYWAGFECR-IAGOWNOFSA-N |
CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C( =O)NC4CCCCC4; CC1=Cc2ccnc(N[C@@H]3CCNC[C @H]3C(=O)NC4CCCCC4)c2NC1=O; CC1=Cc2ccnc( c2NC1=O)NC3CCNCC3C(=O)NC4CCCCC4; CC1=Cc2 ccnc(N[CH]3CCNC[CH]3C(=O)NC4CCCCC4)c2NC1 =O |
(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide; (3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide |
| 38202 | QB0 ZINC000017108619 |
1 | C7 H7 N O2 S3 | InChI=1S/C7H7NO2S3/c9-13( 10,8-7(11)12)6-4-2-1-3-5- 6/h1-5H,(H2,8,11,12); OBMLUXVYPZNXGO-UHFFFAOYSA-N |
SC(=S)N[S](=O)(=O)c1ccccc1; c1ccc(cc1)S( =O)(=O)NC(=S)S |
phenylsulfonylcarbamodithioic acid |
| 38203 | QB1 | 4 | C29 H28 O10 S2 | InChI=1S/C29H28O10S2/c1-3 6-20-10-16-12-26(18(30)4- 6-28(32)33)41-25(16)15-23 (20)39-9-3-8-38-22-11-17- 13-27(19(31)5-7-29(34)35) 40-24(17)14-21(22)37-2/h1 0-15H,3-9H2,1-2H3,(H,32,3 3)(H,34,35); MOWNOLNTSQPEPP-UHFFFAOYSA-N |
COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C( =O)CCC(=O)O)C(=O)CCC(=O)O; COc1cc2sc(cc2 cc1OCCCOc3cc4sc(cc4cc3OC)C(=O)CCC(O)=O)C (=O)CCC(O)=O; O=C(O)CCC(=O)c1sc2c(c1)cc( c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3 c4)OC |
4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
| 38204 | QB2 CHEMBL5792553 |
2 | C22 H18 Cl2 F3 N3 O6 S | InChI=1S/C22H18Cl2F3N3O6S /c23-11-2-1-10(5-12(11)24 )37-22-21(35-8-17(32)33)1 9(20(34)16(7-31)36-22)30- 6-15(28-29-30)9-3-13(25)1 8(27)14(26)4-9/h1-6,16,19 -22,31,34H,7-8H2,(H,32,33 )/t16-,19+,20+,21-,22-/m1 /s1; RROCGPVSGSQEET-WIXLDOGYSA-N |
c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@ H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)OC C(=O)O)Cl)Cl; c1cc(c(cc1SC2C(C(C(C(O2)CO )O)n3cc(nn3)c4cc(c(c(c4)F)F)F)OCC(=O)O)C l)Cl; OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[ C@H](OCC(O)=O)[C@H]([C@H]1O)n3cc(nn3)c4c c(F)c(F)c(F)c4; OC[CH]1O[CH](Sc2ccc(Cl)c (Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn 3)c4cc(F)c(F)c(F)c4 |
2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid |
| 38205 | QB3 ZINC000095830035 |
0 | C16 H21 N3 O3 | InChI=1S/C16H21N3O3/c1-19 -5-3-11(4-6-19)9-22-15-8- 13-12(7-14(15)21-2)16(20) 18-10-17-13/h7-8,10-11H,3 -6,9H2,1-2H3,(H,17,18,20); JXVISOHOJNTGTD-UHFFFAOYSA-N |
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O; COc1 cc2c(O)ncnc2cc1OCC3CCN(C)CC3; CN1CCC(COc 2cc3ncnc(O)c3cc2OC)CC1 |
6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol |
| 38206 | QB4 CHEMBL3286830 DB12130 |
0 | C21 H19 F N6 O2 | InChI=1S/C21H19FN6O2/c1-1 1-15-7-13(22)4-5-14(15)21 (29)27(2)10-16-19(17(8-23 )28(3)26-16)12-6-18(30-11 )20(24)25-9-12/h4-7,9,11H ,10H2,1-3H3,(H2,24,25)/t1 1-/m1/s1; IIXWYSCJSQVBQM-LLVKDONJSA-N |
C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F) cc14)nn(C)c3C#N; Fc3ccc2C(=O)N(Cc1nn(c(C #N)c1c4cc(OC(c2c3)C)c(nc4)N)C)C; C[C@H]1 Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)n n(C)c3C#N; C[C@@H]1c2cc(ccc2C(=O)N(Cc3c( c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F; CC1c2 cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c( nc4)N)O1)C)F |
(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile |
| 38207 | QB5 CHEMBL4798618 |
2 | C21 H22 N4 O3 | InChI=1S/C21H22N4O3/c1-15 (26)25-19-8-7-17(21(27)23 -10-9-18-12-22-14-24-18)1 1-20(19)28-13-16-5-3-2-4- 6-16/h2-8,11-12,14H,9-10, 13H2,1H3,(H,22,24)(H,23,2 7)(H,25,26); XBDVUPNUNZHFJB-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[n H]cn3 |
N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide; 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide |
| 38208 | QB6 CHEMBL4289589 ZINC000003896051 |
4 | C6 H8 N2 O3 S | InChI=1S/C6H8N2O3S/c7-5-3 -4(12(8,10)11)1-2-6(5)9/h 1-3,9H,7H2,(H2,8,10,11); AVQFHKYAVVQYQO-UHFFFAOYSA-N |
c1cc(c(cc1S(=O)(=O)N)N)O; Nc1cc(ccc1O)[S ](N)(=O)=O |
3-azanyl-4-oxidanyl-benzenesulfonamide |
| 38209 | QB7 | 4 | C29 H27 F O10 S2 | InChI=1S/C29H27FO10S2/c1- 37-19-10-15-11-24(17(31)4 -6-26(33)34)41-22(15)13-2 0(19)39-8-3-9-40-29-21(38 -2)14-23-16(28(29)30)12-2 5(42-23)18(32)5-7-27(35)3 6/h10-14H,3-9H2,1-2H3,(H, 33,34)(H,35,36); RIRVHDJGGWFHBP-UHFFFAOYSA-N |
O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c( OC)cc3sc(C(=O)CCC(O)=O)cc3c4F)OC; COc1cc 2cc(sc2cc1OCCCOc3c(F)c4cc(sc4cc3OC)C(=O) CCC(O)=O)C(=O)CCC(O)=O; COc1cc2cc(sc2cc1 OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC )C(=O)CCC(=O)O |
4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
| 38210 | QB8 CHEMBL2062563 ZINC000084653914 |
2 | C20 H17 N7 O | InChI=1S/C20H17N7O/c1-12( 28)23-16-3-2-13-6-7-26(17 (13)8-16)18-9-19(24-15-4- 5-15)27-20(25-18)14(10-21 )11-22-27/h2-3,6-9,11,15, 24H,4-5H2,1H3,(H,23,28); DVDLZLUKYIFIOR-UHFFFAOYSA-N |
CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4) C#N)NC5CC5; CC(=O)Nc1ccc2ccn(c3cc(NC4CC4 )n5ncc(C#N)c5n3)c2c1 |
~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide |
| 38211 | QB9 | 2 | C10 H12 N4 O3 S | InChI=1S/C10H12N4O3S/c11- 9-7(6-12-10(15)14-9)2-1-5 -13-18(16,17)8-3-4-8/h6,8 ,13H,3-5H2,(H3,11,12,14,1 5); IMYCWWNWNOANBE-UHFFFAOYSA-N |
NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2; C1 CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N |
~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide; N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide |
| 38212 | QBA | 2 | C29 H28 O10 S2 | InChI=1S/C29H28O10S2/c1-3 6-20-10-16-12-26(18(30)4- 6-28(32)33)40-24(16)14-22 (20)38-8-3-9-39-23-15-25- 17(11-21(23)37-2)13-27(41 -25)19(31)5-7-29(34)35/h1 0-15H,3-9H2,1-2H3,(H,32,3 3)(H,34,35); HFISEICXICVHGH-UHFFFAOYSA-N |
COc1cc2cc(sc2cc1OCCCOc3cc4sc(cc4cc3OC)C( =O)CCC(O)=O)C(=O)CCC(O)=O; COc1cc2cc(sc2 cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O )C(=O)CCC(=O)O; O=C(O)CCC(=O)c1cc2c(s1)c c(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O )=O)c4)OC |
4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) |
| 38213 | QBB CHEMBL3355053 |
1 | C16 H15 F N2 O | InChI=1S/C16H15FN2O/c17-1 4-4-1-12(2-5-14)16(20)19- 15-6-3-11-7-8-18-10-13(11 )9-15/h1-6,9,18H,7-8,10H2 ,(H,19,20); PGZJYUJKVGSJFI-UHFFFAOYSA-N |
Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3; c1cc( ccc1C(=O)Nc2ccc3c(c2)CNCC3)F; Fc1ccc(cc1 )C(=O)Nc2ccc3CCNCc3c2 |
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide |
| 38214 | QBC CHEMBL44789 ZINC000000436635 |
5 | C9 H7 Cl N2 | InChI=1S/C9H7ClN2/c10-6-1 -2-7-8(11)3-4-12-9(7)5-6/ h1-5H,(H2,11,12); NDRZSRWMMUGOBP-UHFFFAOYSA-N |
c1cc2c(ccnc2cc1Cl)N; Nc1ccnc2cc(Cl)ccc12 ; Clc1cc2nccc(N)c2cc1 |
7-chloroquinolin-4-amine |
| 38215 | QBD | 1 | C29 H28 O8 S2 | InChI=1S/C29H28O8S2/c1-36 -19-10-16(20-15-27(39-25( 20)14-19)22(31)7-9-29(34) 35)4-3-5-17-12-24-18(11-2 3(17)37-2)13-26(38-24)21( 30)6-8-28(32)33/h10-15H,3 -9H2,1-2H3,(H,32,33)(H,34 ,35); FAUOOVCIHNKOFE-UHFFFAOYSA-N |
COc1cc(CCCc2cc3sc(cc3cc2OC)C(=O)CCC(O)=O )c4cc(sc4c1)C(=O)CCC(O)=O; COc1cc(c2cc(s c2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4 )C(=O)CCC(=O)O; OC(CCC(=O)c1sc2c(c1)cc(c (c2)CCCc4c3cc(C(CCC(=O)O)=O)sc3cc(c4)OC) OC)=O |
4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid |
| 38216 | QBE CHEMBL5283179 |
3 | C20 H21 N7 O | InChI=1S/C20H21N7O/c1-3-1 9(28)25-16-8-15(5-4-12(16 )2)23-17-9-18(24-14-6-7-1 4)27-20(26-17)13(10-21)11 -22-27/h4-5,8-9,11,14,24H ,3,6-7H2,1-2H3,(H,23,26)( H,25,28); YKDZIFFKQUNVHH-UHFFFAOYSA-N |
CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2 )ccc1C; CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2) c(cn3)C#N)NC4CC4 |
~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide |
| 38217 | QBF CHEMBL3793371 ZINC000002566016 |
4 | C11 H16 O4 | InChI=1S/C11H16O4/c1-14-9 -6-8(4-3-5-12)7-10(15-2)1 1(9)13/h6-7,12-13H,3-5H2, 1-2H3; PHOPGVYKZWPIGA-UHFFFAOYSA-N |
COc1cc(cc(c1O)OC)CCCO; COc1cc(CCCO)cc(OC )c1O |
2,6-dimethoxy-4-(3-oxidanylpropyl)phenol; propanol syringol |
| 38218 | QBG | 2 | C28 H25 F O10 S2 | InChI=1S/C28H25FO10S2/c1- 36-18-12-21-14(10-23(40-2 1)16(30)3-5-25(32)33)9-19 (18)38-7-8-39-28-20(37-2) 13-22-15(27(28)29)11-24(4 1-22)17(31)4-6-26(34)35/h 9-13H,3-8H2,1-2H3,(H,32,3 3)(H,34,35); TYWKGFXEWNXHOE-UHFFFAOYSA-N |
COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O) CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O; COc1cc2 sc(cc2cc1OCCOc3c(F)c4cc(sc4cc3OC)C(=O)CC C(O)=O)C(=O)CCC(O)=O; OC(=O)CCC(=O)c1sc2 c(c1)cc(c(c2)OC)OCCOc4c(F)c3cc(C(=O)CCC( =O)O)sc3cc4OC |
4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
| 38219 | QBH CHEMBL1615184 ZINC000064744194 |
3 | C29 H40 N2 O6 S | InChI=1S/C29H40N2O6S/c1-4 -10-31-25(16-37-29(31)34) 14-23-11-20(8-9-27(23)32) 12-24-17-38(35,36)18-26(2 8(24)33)30-15-21-6-5-7-22 (13-21)19(2)3/h5-9,11,13, 19,24-26,28,30,32-33H,4,1 0,12,14-18H2,1-3H3/t24-,2 5+,26+,28+/m1/s1; JYNDAPHZRSRSGI-KAHNYGAISA-N |
CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS (=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C) C; CCCN1[CH](COC1=O)Cc2cc(C[CH]3C[S](=O) (=O)C[CH](NCc4cccc(c4)C(C)C)[CH]3O)ccc2O ; CCCN1[C@H](COC1=O)Cc2cc(C[C@@H]3C[S](= O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)c cc2O; CCCN1C(COC1=O)Cc2cc(ccc2O)CC3CS(=O )(=O)CC(C3O)NCc4cccc(c4)C(C)C; O=S2(=O)C C(C(O)C(NCc1cccc(c1)C(C)C)C2)Cc3ccc(O)c( c3)CC4N(C(=O)OC4)CCC |
(4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one |
| 38220 | QBI | 2 | C12 H16 N4 O3 S | InChI=1S/C12H16N4O3S/c13- 11-9(8-14-12(17)16-11)4-3 -7-15-20(18,19)10-5-1-2-6 -10/h8,10,15H,1-2,5-7H2,( H3,13,14,16,17); NLRKPGXUNFPAJK-UHFFFAOYSA-N |
NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CCCC2; C1CCC(C1)S(=O)(=O)NCC#CC2=CNC(=O)N=C2N |
~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopentanesulfonamide; N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopentanesulfonamide |
| 38221 | QBJ | 1 | C29 H26 O9 S2 | InChI=1S/C29H26O9S2/c1-36 -21-14-24-17(12-26(39-24) 19(30)5-7-28(32)33)10-16( 21)4-3-9-38-23-11-18-13-2 7(20(31)6-8-29(34)35)40-2 5(18)15-22(23)37-2/h3-4,1 0-15H,5-9H2,1-2H3,(H,32,3 3)(H,34,35)/b4-3-; UVEPEZVZXOBRFP-ARJAWSKDSA-N |
COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O )CCC(=O)O)cc(s2)C(=O)CCC(=O)O; COc1cc2sc (cc2cc1OC\C=C/c3cc4cc(sc4cc3OC)C(=O)CCC( O)=O)C(=O)CCC(O)=O; COc1cc2c(cc1C=CCOc3c c4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)C CC(=O)O; OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC) OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc 4OC)=O; COc1cc2sc(cc2cc1OCC=Cc3cc4cc(sc4 cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O |
4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid |
| 38222 | QBK | 24 | C5 H2 N4 O2 S | InChI=1S/C5H2N4O2S/c6-4-8 -2(10)1-3(9-4)12-5(11)7-1 /h(H2,6,8,10); AXABAVYDNQCEBU-UHFFFAOYSA-N |
C12=NC(=O)SC1=NC(=NC2=O)N; NC1=NC(=O)C2= NC(=O)SC2=N1 |
5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione |
| 38223 | QBL | 2 | C24 H23 Cl N4 O2 S | InChI=1S/C24H23ClN4O2S/c2 5-15-8-14-2-1-7-28(16-11- 26-12-16)23(14)19(9-15)18 -5-6-27-20-10-17(32-24(18 )20)13-29-21(30)3-4-22(29 )31/h5-6,8-10,16,26H,1-4, 7,11-13H2; JLINGJINOLLCFE-UHFFFAOYSA-N |
Clc1cc2CCCN(C3CNC3)c2c(c1)c4ccnc5cc(CN6C (=O)CCC6=O)sc45; c1cnc2cc(sc2c1c3cc(cc4c 3N(CCC4)C5CNC5)Cl)CN6C(=O)CCC6=O; Clc1cc (c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c2c(c1)CC CN2C1CNC1 |
1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione |
| 38224 | QBM ZINC000009304258 |
1 | C7 H11 N3 O S | InChI=1S/C7H11N3OS/c1-3-4 -12-7-8-6(11)5(2)9-10-7/h 3-4H2,1-2H3,(H,8,10,11); FDEFEFHFXLJEDB-UHFFFAOYSA-N |
CCCSc1nnc(C)c(O)n1; CCCSc1nc(c(nn1)C)O; CCCSc1nnc(c(O)n1)C |
6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol |
| 38225 | QBN CHEMBL4525767 ZINC000001588900 |
2 | C25 H27 N O | InChI=1S/C25H27NO/c1-3-24 (20-10-6-4-7-11-20)25(21- 12-8-5-9-13-21)22-14-16-2 3(17-15-22)27-19-18-26-2/ h4-17,26H,3,18-19H2,1-2H3 /b25-24-; NYDCDZSEEAUOHN-IZHYLOQSSA-N |
CCC(\c1ccccc1)=C(/c2ccccc2)c3ccc(OCCNC)c c3; CCC(=C(c1ccccc1)c2ccc(cc2)OCCNC)c3cc ccc3; CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC )/c3ccccc3; CCC(c1ccccc1)=C(c2ccccc2)c3c cc(OCCNC)cc3 |
2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine |
| 38226 | QBO CHEMBL5279391 |
2 | C24 H38 N4 O3 | InChI=1S/C24H38N4O3/c1-14 (4-9-22(30)31)18-7-8-19-1 7-6-5-15-12-16(29)10-11-2 3(15,2)20(17)13-21-25-26- 27-28(21)24(18,19)3/h14-2 0,29H,4-13H2,1-3H3,(H,30, 31)/t14-,15-,16-,17+,18-, 19+,20+,23+,24-/m1/s1; MIQKAEOABWRKCI-VPUMZWJWSA-N |
C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C [CH](O)CC[C]4(C)[CH]3Cc5nnnn5[C]12C; CC( CCC(=O)O)C1CCC2C1(n3c(nnn3)CC4C2CCC5C4(C CC(C5)O)C)C; C[C@H](CCC(O)=O)[C@H]1CC[C@ H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C @H]3Cc5nnnn5[C@]12C; C[C@H](CCC(=O)O)[C@ H]1CC[C@@H]2[C@@]1(n3c(nnn3)C[C@H]4[C@H] 2CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C |
(4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid |
| 38227 | QBP ZINC000000105883 |
1 | C8 H5 F3 N4 | InChI=1S/C8H5F3N4/c9-8(10 ,11)6-3-1-5(2-4-6)7-12-14 -15-13-7/h1-4H,(H,12,13,1 4,15); CCVCHQBLMDMSNN-UHFFFAOYSA-N |
c1cc(ccc1c2[nH]nnn2)C(F)(F)F; FC(F)(F)c1 ccc(cc1)c2[nH]nnn2; C(F)(F)(c2ccc(c1nnnn 1)cc2)F |
5-[4-(trifluoromethyl)phenyl]-1H-tetrazole |
| 38228 | QBQ CHEMBL4553467 |
122 | C11 H17 N4 O14 P3 | InChI=1S/C11H17N4O14P3/c1 2-11-13-8-4(9(18)14-11)1- 2-15(8)10-7(17)6(16)5(27- 10)3-26-31(22,23)29-32(24 ,25)28-30(19,20)21/h1-2,5 -7,10,16-17H,3H2,(H,22,23 )(H,24,25)(H2,19,20,21)(H 3,12,13,14,18)/t5-,6-,7-, 10-/m1/s1; NOXMCJDDSWCSIE-DAGMQNCNSA-N |
c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@ H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O) O)O)O; NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](C O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]( O)[CH]3O; NC1=Nc2n(ccc2C(=O)N1)[C@@H]3O[ C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O )[C@@H](O)[C@H]3O; c1cn(c2c1C(=O)NC(=N2) N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O )O)O)O |
7-deaza-GTP; [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 38229 | QBR | 2 | C30 H30 F N3 O3 | InChI=1S/C30H30FN3O3/c1-3 0(2,3)23-11-13-25(14-12-2 3)34(29(36)26-10-6-18-37- 26)27(22-8-5-16-32-20-22) 28(35)33-17-15-21-7-4-9-2 4(31)19-21/h4-14,16,18-20 ,27H,15,17H2,1-3H3,(H,33, 35)/t27-/m1/s1; WPJAOHFPXGCVSV-HHHXNRCGSA-N |
CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCCc 3cccc(c3)F)C(=O)c4ccco4; CC(C)(C)c1ccc(c c1)N([C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F) C(=O)c4ccco4; CC(C)(C)c1ccc(cc1)N([C@@H] (C(=O)NCCc2cccc(F)c2)c3cccnc3)C(=O)c4occ c4; CC(C)(C)c1ccc(cc1)N([CH](C(=O)NCCc2c ccc(F)c2)c3cccnc3)C(=O)c4occc4; O=C(N(C( c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(cc1)C (C)(C)C)c1ccco1 |
N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide |
| 38230 | QBS ZINC000000257777 |
3 | C10 H8 Cl N O | InChI=1S/C10H8ClNO/c1-7(1 3)10(6-12)8-2-4-9(11)5-3- 8/h2-5,10H,1H3/t10-/m1/s1; IPBZEJZUAZXNOS-SNVBAGLBSA-N |
CC(=O)[C@@H](C#N)c1ccc(Cl)cc1; CC(=O)C(C #N)c1ccc(cc1)Cl; CC(=O)[CH](C#N)c1ccc(Cl )cc1; CC(C(c1ccc(cc1)Cl)C#N)=O; CC(=O)[C @@H](C#N)c1ccc(cc1)Cl |
(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile |
| 38231 | QBT | 9 | C10 H17 N2 O8 P | InChI=1S/C10H17N2O8P/c1-5 -3-12(10(15)11-9(5)14)8-2 -6(13)7(20-8)4-19-21(16,1 7)18/h5-8,13H,2-4H2,1H3,( H,11,14,15)(H2,16,17,18)/ t5-,6-,7+,8+/m0/s1; PGRQANKWVMVANW-RULNZFCNSA-N |
C[C@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P](O) (O)=O)O2)C(=O)NC1=O; CC1CN(C(=O)NC1=O)C2 CC(C(O2)COP(=O)(O)O)O; C[C@H]1CN(C(=O)NC 1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O ; C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(O) =O)O2)C(=O)NC1=O |
[(2R,3S,5R)-3-HYDROXY-5-[(5S)-5-METHYL-2,4-DIOXO-1,3-DIAZINAN-1-YL]OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE |
| 38232 | QBU CHEMBL5410577 |
3 | C21 H27 N5 O4 | InChI=1S/C21H27N5O4/c27-1 1-15-17(28)18(29)21(30-15 )26-13-25-16-19(23-12-24- 20(16)26)22-10-6-2-5-9-14 -7-3-1-4-8-14/h1,3-4,7-8, 12-13,15,17-18,21,27-29H, 2,5-6,9-11H2,(H,22,23,24) /t15-,17-,18-,21-/m1/s1; OWDHJJGXMJRIBB-QTQZEZTPSA-N |
c1ccc(cc1)CCCCCNc2c3c(ncn2)n(cn3)C4C(C(C (O4)CO)O)O; c1ccc(cc1)CCCCCNc2c3c(ncn2)n (cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O ; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3 c(NCCCCCc4ccccc4)ncnc23; OC[CH]1O[CH]([C H](O)[CH]1O)n2cnc3c(NCCCCCc4ccccc4)ncnc2 3; OCC1OC(n2cnc3c(NCCCCCc4ccccc4)ncnc32) C(O)C1O |
N-(5-phenylpentyl)adenosine |
| 38233 | QBV ZINC000002504974 |
2 | C9 H7 Br O3 | InChI=1S/C9H7BrO3/c10-7-5 -6(1-3-8(7)11)2-4-9(12)13 /h1-5,11H,(H,12,13)/b4-2+; HOZXBZABAJSGDX-DUXPYHPUSA-N |
OC(=O)/C=C/c1ccc(O)c(Br)c1; C([C@H]=Cc1c cc(c(c1)Br)O)(O)=O; c1cc(c(cc1/C=C/C(=O) O)Br)O; OC(=O)C=Cc1ccc(O)c(Br)c1; c1cc(c (cc1C=CC(=O)O)Br)O |
(2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid |
| 38234 | QBW ZINC000003635665 |
1 | C15 H17 N O2 | InChI=1S/C15H17NO2/c17-14 -7-6-12(10-15(14)18)8-9-1 6-11-13-4-2-1-3-5-13/h1-7 ,10,16-18H,8-9,11H2; VFXBAOSXGMLCEF-UHFFFAOYSA-N |
c1ccc(cc1)CNCCc2ccc(c(c2)O)O; Oc1ccc(CCN Cc2ccccc2)cc1O |
4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol |
| 38235 | QBX ZINC000000346597 |
1 | C16 H13 Cl O2 S2 | InChI=1S/C16H13ClO2S2/c17 -11-5-6-13-10(7-11)8-15(2 0-9-16(18)19)12-3-1-2-4-1 4(12)21-13/h1-7,15H,8-9H2 ,(H,18,19)/t15-/m1/s1; KJHPPRXFYCSKDF-OAHLLOKOSA-N |
c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)SCC(=O)O; c 1ccc2c(c1)[C@@H](Cc3cc(ccc3S2)Cl)SCC(=O) O; OC(=O)CS[CH]1Cc2cc(Cl)ccc2Sc3ccccc13; OC(=O)CS[C@@H]1Cc2cc(Cl)ccc2Sc3ccccc13; O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc12 |
{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid |
| 38236 | QBY CHEMBL4161807 ZINC000584905656 |
1 | C23 H24 N2 O3 S | InChI=1S/C23H24N2O3S/c1-2 -29-22-19-14-18(28-16-17- 6-4-3-5-7-17)8-9-21(19)24 -15-20(22)23(26)25-10-12- 27-13-11-25/h3-9,14-15H,2 ,10-13,16H2,1H3; INDSTSRQMXNXSG-UHFFFAOYSA-N |
CCSc1c(cnc2ccc(OCc3ccccc3)cc12)C(=O)N4CC OCC4; CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OC c4ccccc4 |
6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL) |
| 38237 | QBZ | 1 | C10 H13 N4 O6 S | InChI=1S/C10H13N4O6S/c1-1 0(21(19)20,6-14-5-4-12-13 -14)8(9(17)18)11-3-2-7(15 )16/h3-5,8H,2,6H2,1H3,(H, 15,16)(H,17,18)/q-1/b11-3 +/t8-,10-/m0/s1; YNFLCWAICZLYCW-QWLAWDEZSA-N |
C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O) O)[S-](=O)=O; C[C](Cn1ccnn1)([CH](N=CCC( O)=O)C(O)=O)[S-](=O)=O; CC(Cn1ccnn1)(C(C (=O)O)N=CCC(=O)O)[S-](=O)=O; C[C@](Cn1cc nn1)([C@@H](N=CCC(O)=O)C(O)=O)[S-](=O)=O |
(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid; Tazobactam imine intermediate |
| 38238 | QC0 CHEMBL2031238 ZINC000084653653 |
1 | C25 H25 N5 O3 | InChI=1S/C25H25N5O3/c1-17 -3-4-19(27-24(31)18-7-12- 33-15-18)13-23(17)30-16-2 6-22-6-5-20(14-21(22)25(3 0)32)29-10-8-28(2)9-11-29 /h3-7,12-16H,8-11H2,1-2H3 ,(H,27,31); NJOPZZLYRDEEQE-UHFFFAOYSA-N |
Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C )NC(=O)c5ccoc5; CN1CCN(CC1)c2ccc3N=CN(C( =O)c3c2)c4cc(NC(=O)c5cocc5)ccc4C; O=C(Nc 4ccc(c(N3C=Nc2ccc(N1CCN(C)CC1)cc2C3=O)c4 )C)c5ccoc5 |
N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE |
| 38239 | QC1 CHEMBL6043490 |
4 | C13 H11 F N2 O2 | InChI=1S/C13H11FN2O2/c14- 10-3-1-9(2-4-10)7-16-12-8 -15-6-5-11(12)13(17)18/h1 -6,8,16H,7H2,(H,17,18); LEJXPLDUYCZSQX-UHFFFAOYSA-N |
c1cc(ccc1CNc2cnccc2C(=O)O)F; Fc1ccc(cc1) CNc2c(C(O)=O)ccnc2; OC(=O)c1ccncc1NCc2cc c(F)cc2 |
3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid |
| 38240 | QC2 CHEMBL4228384 |
4 | C15 H11 N3 O3 | InChI=1S/C15H11N3O3/c19-1 2-3-1-2-10(8-12)13-5-7-17 -18(13)14-9-11(15(20)21)4 -6-16-14/h1-9,19H,(H,20,2 1); QVSDPEWGBYKEDU-UHFFFAOYSA-N |
Oc1cccc(c1)c2ccnn2c3cc(ccn3)C(O)=O; c1cc (cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O; O=C(O) c1ccnc(c1)n2nccc2c3cc(O)ccc3 |
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| 38241 | QC3 | 4 | C19 H15 Cl N2 O | InChI=1S/C19H15ClN2O/c20- 15-6-3-5-13(10-15)17-8-9- 22(19(17)23)18-12-21-11-1 4-4-1-2-7-16(14)18/h1-7,1 0-12,17H,8-9H2/t17-/m0/s1; RNKBROMGPBKNFK-KRWDZBQOSA-N |
c1ccc2c(c1)cncc2N3CC[C@H](C3=O)c4cccc(c4 )Cl; Clc1cccc(c1)[CH]2CCN(C2=O)c3cncc4cc ccc34; Clc1cccc(c1)[C@@H]2CCN(C2=O)c3cnc c4ccccc34; c1ccc2c(c1)cncc2N3CCC(C3=O)c4 cccc(c4)Cl; Clc1cccc(c1)C1CCN(c2cncc3ccc cc23)C1=O |
(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
| 38242 | QC4 | 0 | C15 H14 F3 N3 O5 | InChI=1S/C15H14F3N3O5/c1- 5(22)12(19)14-20-8(15(26) 21(14)4-9(23)24)3-6-2-7(1 6)13(25)11(18)10(6)17/h2- 3,5,12,22,25H,4,19H2,1H3, (H,23,24)/b8-3-/t5-,12+/m 1/s1; SPNDQVGBAVKMMP-HNLMWGSMSA-N |
C[CH](O)[CH](N)C1=NC(=Cc2cc(F)c(O)c(F)c2 F)C(=O)N1CC(O)=O; NC(C(O)C)C1=N/C(C(N1CC (O)=O)=O)=C\c2cc(F)c(c(c2F)F)O; CC(C(C1= NC(=Cc2cc(c(c(c2F)F)O)F)C(=O)N1CC(=O)O)N )O; C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F )F)O)F)/C(=O)N1CC(=O)O)N)O; C[C@@H](O)[C @H](N)C1=N\C(=C/c2cc(F)c(O)c(F)c2F)C(=O) N1CC(O)=O |
{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 38243 | QC5 ZINC000095921412 |
2 | C17 H19 F N4 | InChI=1S/C17H19FN4/c1-20( 2)11-12-22-13-16(14-5-7-1 5(18)8-6-14)17(19-22)21-9 -3-4-10-21/h3-10,13H,11-1 2H2,1-2H3; ZCQVHVWVDAEXBJ-UHFFFAOYSA-N |
Fc3ccc(c1cn(nc1n2cccc2)CCN(C)C)cc3; CN(C )CCn1cc(c2ccc(F)cc2)c(n1)n3cccc3; CN(C)C Cn1cc(c(n1)n2cccc2)c3ccc(cc3)F |
2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine |
| 38244 | QC6 CHEMBL5607763 ZINC000014951249 |
2 | C10 H9 F N2 | InChI=1S/C10H9FN2/c1-6-5- 9(12)7-3-2-4-8(11)10(7)13 -6/h2-5H,1H3,(H2,12,13); RHZQTGHNSDPKJV-UHFFFAOYSA-N |
Cc1cc(N)c2cccc(F)c2n1; Cc1cc(c2cccc(c2n1 )F)N; Fc1cccc2c(N)cc(C)nc12 |
8-fluoro-2-methylquinolin-4-amine |
| 38245 | QC7 | 1 | C25 H44 O3 | InChI=1S/C25H44O3/c1-15(7 -8-16(2)26)17(3)24(5)12-1 0-21-23(18(24)4)22(28)14- 19-13-20(27)9-11-25(19,21 )6/h15,17-23,27-28H,7-14H 2,1-6H3/t15-,17-,18+,19+, 20-,21+,22-,23+,24-,25+/m 1/s1; SZOBNGKCEOANMX-IBSCZREMSA-N |
CC1C2C(CCC1(C)C(C)C(C)CCC(=O)C)C3(CCC(CC 3CC2O)O)C; C[C@H](CCC(C)=O)[C@@H](C)[C@@ ]1(C)CC[C@H]2[C@@H]([C@H](O)C[C@@H]3C[C@ H](O)CC[C@]23C)[C@@H]1C; CC(C(C)CCC(C)=O )C3(C(C)C2C(CC1CC(CCC1(C)C2CC3)O)O)C; C[ C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H] (C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2 O)O)C; C[CH](CCC(C)=O)[CH](C)[C]1(C)CC[C H]2[CH]([CH](O)C[CH]3C[CH](O)CC[C]23C)[C H]1C |
(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one |
| 38246 | QC8 CHEMBL4637208 |
1 | C23 H23 F N2 O4 | InChI=1S/C23H23FN2O4/c1-2 5-23(28)15-8-13(22(27)26- 20-16-10-29-11-17(16)20)7 -14-19(12-5-3-2-4-6-12)18 (9-24)30-21(14)15/h2-8,16 -20H,9-11H2,1H3,(H,25,28) (H,26,27)/t16-,17+,18-,19 +,20+/m1/s1; WZQLVEPIBAOOGF-RMMWZPCPSA-N |
CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc 3)C(=O)NC4[CH]5COC[CH]45; CNC(=O)c1cc(cc 2[C@@H]([C@@H](CF)Oc12)c3ccccc3)C(=O)NC4 [C@@H]5COC[C@H]45; CNC(=O)c1cc(cc2c1OC(C 2c3ccccc3)CF)C(=O)NC4C5C4COC5; CNC(=O)c1 cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)N C4[C@H]5[C@@H]4COC5 |
(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
| 38247 | QC9 | 19 | C6 H14 O7 S | InChI=1S/C6H14O7S/c7-2-1- 4(8)6(10)5(9)3-14(11,12)1 3/h4-10H,1-3H2,(H,11,12,1 3)/t4-,5-,6-/m0/s1; CASIPAVAJJTHFL-ZLUOBGJFSA-N |
OCC[C@H](O)[C@H](O)[C@@H](O)C[S](O)(=O)= O; OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O ; C(CO)C(C(C(CS(=O)(=O)O)O)O)O; C(CO)[C@ @H]([C@@H]([C@H](CS(=O)(=O)O)O)O)O |
(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid |
| 38248 | QCA | 0 | C15 H16 N4 O7 | InChI=1S/C15H16N4O7/c1-7( 20)13(16)14-17-9(15(24)18 (14)6-12(22)23)4-8-2-3-11 (21)10(5-8)19(25)26/h2-5, 7,13,20-21H,6,16H2,1H3,(H ,22,23)/b9-4-/t7-,13+/m1/ s1; LHLFOMIKJUVYFB-ADWIAXRPSA-N |
C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(c2)[N]( =O)=O)C(=O)N1CC(O)=O; CC(C(C1=NC(=Cc2ccc (c(c2)N(=O)=O)O)C(=O)N1CC(=O)O)N)O; C[C@ H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O )/C(=O)N1CC(=O)O)N)O; C[C@@H](O)[C@H](N) C1=N\C(=C/c2ccc(O)c(c2)[N](=O)=O)C(=O)N1 CC(O)=O; NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O) =C\c2cc(N(=O)=O)c(cc2)O |
{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 38249 | QCB | 2 | C16 H23 N6 O10 P | InChI=1S/C16H23N6O10P/c1- 6(23)9(16(27)28)21-8(24)3 -33(29,30)31-2-7-11(25)12 (26)15(32-7)22-5-20-10-13 (17)18-4-19-14(10)22/h4-7 ,9,11-12,15,23,25-26H,2-3 H2,1H3,(H,21,24)(H,27,28) (H,29,30)(H2,17,18,19)/t6 -,7-,9+,11-,12-,15-/m1/s1; DWVLLSYZUNNOOL-JOHRSRDASA-N |
CC(C(C(=O)O)NC(=O)CP(=O)(O)OCC1C(C(C(O1) n2cnc3c2ncnc3N)O)O)O; C[CH](O)[CH](NC(=O )C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n 2cnc3c(N)ncnc23)C(O)=O; C[C@@H](O)[C@H]( NC(=O)C[P](O)(=O)OC[C@H]1O[C@H]([C@H](O) [C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O; C[C@H] ([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[ C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O) O |
(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid |
| 38250 | QCC | 2 | C17 H16 Cl N3 O3 | InChI=1S/C17H16ClN3O3/c1- 10-2-3-19-9-14(10)20-15(2 2)6-11-4-12(18)7-13(5-11) 24-17-8-16(23)21-17/h2-5, 7,9,17H,6,8H2,1H3,(H,20,2 2)(H,21,23)/t17-/m0/s1; JCZDGTYSQGAPDN-KRWDZBQOSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N 3)c2; Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(= O)N2)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)O C3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc(cc(c2)C l)O[C@H]3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc( Cl)cc(O[C@H]3CC(=O)N3)c2 |
2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 38251 | QCD | 0 | C16 H19 N3 O6 | InChI=1S/C16H19N3O6/c1-8( 20)14(17)15-18-10(16(24)1 9(15)7-13(22)23)5-9-3-4-1 1(21)12(6-9)25-2/h3-6,8,1 4,20-21H,7,17H2,1-2H3,(H, 22,23)/b10-5-/t8-,14+/m1/ s1; GBSWTVBFPAABMW-ROYMEAFZSA-N |
COc1cc(ccc1O)\C=C2/N=C([C@@H](N)[C@@H](C )O)N(CC(O)=O)C2=O; CC(C(C1=NC(=Cc2ccc(c( c2)OC)O)C(=O)N1CC(=O)O)N)O; C[C@H]([C@@H ](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(= O)O)N)O; COc1cc(ccc1O)C=C2N=C([CH](N)[CH ](C)O)N(CC(O)=O)C2=O; NC(C(O)C)C1=N/C(C( N1CC(O)=O)=O)=C\c2cc(OC)c(cc2)O |
{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl }acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 38252 | QCE | 0 | C13 H20 N3 O8 P | InChI=1S/C13H20N3O8P/c1-7 -4-15(13(20)16(12(7)19)5- 10(18)14-2)11-3-8(17)9(24 -11)6-23-25(21)22/h4,8-9, 11,17,21-22H,3,5-6H2,1-2H 3,(H,14,18)/t8-,9+,11+/m0 /s1; IFRBNITUSZIOEY-IQJOONFLSA-N |
CC1=CN(C(=O)N(C1=O)CC(=O)NC)C2CC(C(O2)CO P(O)O)O; CNC(=O)CN1C(=O)N(C=C(C)C1=O)[CH ]2C[CH](O)[CH](COP(O)O)O2; CNC(=O)CN1C(= O)N(C=C(C)C1=O)[C@H]2C[C@H](O)[C@@H](COP (O)O)O2; CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@ H]2C[C@@H]([C@H](O2)COP(O)O)O |
N3-(N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine; [(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
| 38253 | QCF CHEMBL407492 ZINC000004087108 |
1 | C9 H13 N O S | InChI=1S/C9H13NOS/c1-10(2 )6-5-8(11)9-4-3-7-12-9/h3 -4,7H,5-6H2,1-2H3; JNMZUWJMJSKMON-UHFFFAOYSA-N |
CN(C)CCC(=O)c1sccc1; CN(C)CCC(=O)c1cccs1 | 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one; AAEK1 |
| 38254 | QCG CHEMBL4454255 |
6 | C29 H30 F N3 O4 | InChI=1S/C29H30FN3O4/c1-1 6-19-12-9-13-36-26(19)21( 30)14-20(16)25-24(27(28(3 4)35)37-29(3,4)5)17(2)31- 23-15-22(32-33(23)25)18-1 0-7-6-8-11-18/h6-8,10-11, 14-15,27H,9,12-13H2,1-5H3 ,(H,34,35)/t27-/m0/s1; TZXRURYHFBZSGH-MHZLTWQESA-N |
c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3cccc c3)nn45)C(C(O)=O)OC(C)(C)C)C; Cc1c(cc(c2 c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C @@H](C(=O)O)OC(C)(C)C; Cc1nc2cc(nn2c(c3c c(F)c4OCCCc4c3C)c1[C@H](OC(C)(C)C)C(O)=O )c5ccccc5; Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4 n3nc(c4)c5ccccc5)C)C(C(=O)O)OC(C)(C)C; C c1nc2cc(nn2c(c3cc(F)c4OCCCc4c3C)c1[CH](O C(C)(C)C)C(O)=O)c5ccccc5 |
(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid |
| 38255 | QCH ZINC000098209332 |
4 | C29 H36 N2 O7 | InChI=1S/C29H36N2O7/c1-31 (16-20-9-5-6-10-23(20)28( 34)30-15-19-7-3-2-4-8-19) 17-21-11-13-24-27(26(21)2 9(35)36)37-18-22(38-24)12 -14-25(32)33/h5-6,9-11,13 ,19,22H,2-4,7-8,12,14-18H 2,1H3,(H,30,34)(H,32,33)( H,35,36)/t22-/m0/s1; ALUOBRJTVMRLRL-QFIPXVFZSA-N |
CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C (=O)O)OCC(O4)CCC(=O)O; CN(Cc1ccccc1C(=O) NCC2CCCCC2)Cc3ccc4O[CH](CCC(O)=O)COc4c3C (O)=O; CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3cc c4O[C@@H](CCC(O)=O)COc4c3C(O)=O; O=C(NCC 1CCCCC1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(= O)O)CCC(=O)O; CN(Cc1ccccc1C(=O)NCC2CCCCC 2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O |
(2S)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| 38256 | QCI ZINC000005133401 |
0 | C5 H8 N2 O2 | InChI=1S/C5H8N2O2/c6-3-1- 2-4(8)7-5(3)9/h3H,1-2,6H2 ,(H,7,8,9)/t3-/m0/s1; NPWMTBZSRRLQNJ-VKHMYHEASA-N |
N[CH]1CCC(=O)NC1=O; C1CC(=O)NC(=O)C1N; C 1CC(=O)NC(=O)[C@H]1N; N[C@H]1CCC(=O)NC1= O |
L-2-Aminoglutarimide; (3S)-3-azanylpiperidine-2,6-dione; (S)-2-Aminoglutarimide |
| 38257 | QCK | 0 | C13 H18 N5 O8 P | InChI=1S/C13H18N5O8P/c1-7 -4-17(11-2-9(19)10(26-11) 6-25-27(22,23)24)13(21)18 (12(7)20)5-8-3-14-16-15-8 /h3-4,9-11,19H,2,5-6H2,1H 3,(H,14,15,16)(H2,22,23,2 4)/t9-,10+,11+/m0/s1; CSMLWNXTBCGKPQ-HBNTYKKESA-N |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O) =O)O2)C(=O)N(Cc3[nH]nnc3)C1=O; CC1=CN(C( =O)N(C1=O)Cc2cnn[nH]2)C3CC(C(O3)COP(=O)( O)O)O; CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C @H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O; CC1= CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C( =O)N(Cc3[nH]nnc3)C1=O |
(4-methyltriazole)-Thymidine-5'-monophosphate |
| 38258 | QCL | 0 | C16 H20 N2 O3 | InChI=1S/C16H20N2O3/c1-3- 10(4-2)9-21-14-8-13(16(19 )20)18-15-11(14)6-5-7-12( 15)17/h5-8,10H,3-4,9,17H2 ,1-2H3,(H,19,20); KNUNTLVQQZHNHC-UHFFFAOYSA-N |
CCC(CC)COc1cc(nc2c(N)cccc12)C(O)=O; CCC( CC)COc1cc(nc2c1cccc2N)C(=O)O |
8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
| 38259 | QCM CHEMBL1213492 DB12645 ZINC000003820616 |
1 | C24 H27 N3 O4 | InChI=1S/C24H27N3O4/c1-3- 27(4-2)15-17-5-7-21-14-18 (6-8-20(21)13-17)16-31-24 (29)25-22-11-9-19(10-12-2 2)23(28)26-30/h5-14,30H,3 -4,15-16H2,1-2H3,(H,25,29 )(H,26,28); YALNUENQHAQXEA-UHFFFAOYSA-N |
CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc 3)C(=O)NO; CCN(CC)Cc1ccc2cc(COC(=O)Nc3cc c(cc3)C(=O)NO)ccc2c1; C(c3ccc(NC(OCc1ccc 2c(c1)ccc(c2)CN(CC)CC)=O)cc3)(NO)=O |
Givinostat; {6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate |
| 38260 | QCN CHEMBL3809101 ZINC000141972758 |
0 | C13 H19 N O3 | InChI=1S/C13H19NO3/c1-13( 2,3)9-6-8(4-5-11(9)15)7-1 0(14)12(16)17/h4-6,10,15H ,7,14H2,1-3H3,(H,16,17)/t 10-/m0/s1; OPICDRDJURXPOL-JTQLQIEISA-N |
CC(C)(C)c1cc(ccc1O)CC(C(=O)O)N; CC(C)(C) c1cc(ccc1O)C[C@@H](C(=O)O)N; CC(C)(C)c1c c(C[CH](N)C(O)=O)ccc1O; CC(C)(C)c1cc(C[C @H](N)C(O)=O)ccc1O |
(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal |
| 38261 | QCO | 1 | C28 H28 F N5 O3 | InChI=1S/C28H28FN5O3/c1-1 9(2)37-24-10-8-23(9-11-24 )34(28(36)25-17-31-18-33- 25)26(21-6-4-13-30-16-21) 27(35)32-14-12-20-5-3-7-2 2(29)15-20/h3-11,13,15-19 ,26H,12,14H2,1-2H3,(H,31, 33)(H,32,35)/t26-/m1/s1; CXQMRNJWEULDQY-AREMUKBSSA-N |
CC(C)Oc1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC Cc3cccc(c3)F)C(=O)c4c[nH]cn4; CC(C)Oc1cc c(cc1)N([C@@H](C(=O)NCCc2cccc(F)c2)c3ccc nc3)C(=O)c4c[nH]cn4; CC(C)Oc1ccc(cc1)N(C (c2cccnc2)C(=O)NCCc3cccc(c3)F)C(=O)c4c[n H]cn4; CC(C)Oc1ccc(cc1)N([CH](C(=O)NCCc2 cccc(F)c2)c3cccnc3)C(=O)c4c[nH]cn4; O=C( N(C(c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(O C(C)C)cc1)c1c[NH]cn1 |
N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-{4-[(propan-2-yl)oxy]phenyl}-1H-imidazole-4-carboxamide |
| 38262 | QCP CHEMBL191482 DB12707 ZINC000013671721 |
4 | C18 H20 N2 O3 | InChI=1S/C18H20N2O3/c1-12 (2)16(13-6-4-3-5-7-13)18( 22)19-15-10-8-14(9-11-15) 17(21)20-23/h3-12,16,23H, 1-2H3,(H,19,22)(H,20,21)/ t16-/m0/s1; LAMIXXKAWNLXOC-INIZCTEOSA-N |
CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO; CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccc cc2; CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO) c2ccccc2; CC(C)[C@@H](c1ccccc1)C(=O)Nc2c cc(cc2)C(=O)NO; C(C)(C(c1ccccc1)C(Nc2ccc (C(NO)=O)cc2)=O)C |
AR-42; N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide |
| 38263 | QCQ CHEMBL4779616 |
1 | C18 H21 Cl F N5 O8 P2 | InChI=1S/C18H21ClFN5O8P2/ c19-18-23-15(21-6-10-4-2- 1-3-5-10)13-16(24-18)25(8 -22-13)17-12(20)14(26)11( 33-17)7-32-35(30,31)9-34( 27,28)29/h1-5,8,11-12,14, 17,26H,6-7,9H2,(H,30,31)( H,21,23,24)(H2,27,28,29)/ t11-,12+,14-,17-/m1/s1; PPWDVNAHTXSWKW-DMVWFOPNSA-N |
c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)C4C(C(C (O4)COP(=O)(CP(=O)(O)O)O)O)F; c1ccc(cc1) CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H ]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F; O[C @H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(=O)C [P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc2 3; O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(=O)C [P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc2 3 |
[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 38264 | QCR | 2 | C20 H25 F N8 O | InChI=1S/C20H25FN8O/c1-11 (2)18-12-8-17(24-9-13(12) 19(22-3)28-27-18)25-16-4- 6-23-20(26-16)29-7-5-15(3 0)14(21)10-29/h4,6,8-9,11 ,14-15,30H,5,7,10H2,1-3H3 ,(H,22,28)(H,23,24,25,26) /t14-,15+/m0/s1; NWYLBGFZOQANJV-LSDHHAIUSA-N |
CC(C)c1c2cc(ncc2c(nn1)NC)Nc3ccnc(n3)N4CC [C@H]([C@H](C4)F)O; CC(C)c1c2cc(ncc2c(nn 1)NC)Nc3ccnc(n3)N4CCC(C(C4)F)O; CNc1nnc( C(C)C)c2cc(Nc3ccnc(n3)N4CC[CH](O)[CH](F) C4)ncc12; CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc (ncc1)N1CCC(O)C(F)C1; CNc1nnc(C(C)C)c2cc (Nc3ccnc(n3)N4CC[C@@H](O)[C@@H](F)C4)ncc 12 |
(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol |
| 38265 | QCS ZINC000002567981 |
0 | C4 H8 N2 O3 S | InChI=1S/C4H8N2O3S/c5-2(3 (7)8)1-10-4(6)9/h2H,1,5H2 ,(H2,6,9)(H,7,8)/t2-/m0/s 1; YOAUVDYBDJTJJP-REOHCLBHSA-N |
C(C(C(=O)O)N)SC(=O)N; C([C@@H](C(=O)O)N) SC(=O)N; O=C(SCC(C(=O)O)N)N; N[CH](CSC(N )=O)C(O)=O; N[C@@H](CSC(N)=O)C(O)=O |
S-carbamoyl-L-cysteine |
| 38266 | QCT CHEMBL82242 ZINC000004175638 |
23 | C21 H20 O11 | InChI=1S/C21H20O11/c1-7-1 5(26)17(28)18(29)21(30-7) 32-20-16(27)14-12(25)5-9( 22)6-13(14)31-19(20)8-2-3 -10(23)11(24)4-8/h2-7,15, 17-18,21-26,28-29H,1H3/t7 -,15-,17+,18+,21-/m0/s1; OXGUCUVFOIWWQJ-HQBVPOQASA-N |
C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4 ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O; C[C@H ]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3 cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O; O =C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O )c23)c4ccc(O)c(O)c4; CC1C(C(C(C(O1)OC2=C (Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O) O; C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3 C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H ]1O |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside; quercitrin |
| 38267 | QCU CHEMBL463734 ZINC000000073681 |
3 | C9 H10 N2 O | InChI=1S/C9H10N2O/c1-10-7 -5-3-4-6-8(7)11(2)9(10)12 /h3-6H,1-2H3; NOJXCBIUEXCLMZ-UHFFFAOYSA-N |
CN1c2ccccc2N(C1=O)C; CN1C(=O)N(C)c2ccccc 12 |
1,3-dimethylbenzimidazol-2-one |
| 38268 | QCV CHEMBL1967488 ZINC000004783136 |
4 | C7 H6 N2 O2 | InChI=1S/C7H6N2O2/c1-8-6- 2-4-7(5-3-6)9(10)11/h2-5H ,1H2; HXHIWKCPLNZQQD-UHFFFAOYSA-N |
C=Nc1ccc(cc1)[N](=O)=O; C=Nc1ccc(cc1)N(= O)=O; C=N\c1ccc(cc1)N(=O)=O |
N-(4-nitrophenyl)methanimine |
| 38269 | QCW CHEMBL4633353 |
1 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c1-15 -13(17)12-8-5-9-16(14(12) 18)10-11-6-3-2-4-7-11/h2- 9H,10H2,1H3,(H,15,17); FPNFBPWMDHIOEK-UHFFFAOYSA-N |
CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2; CNC(=O)C 1=CC=CN(Cc2ccccc2)C1=O |
~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide |
| 38270 | QCX CHEMBL5419663 |
4 | C25 H37 N7 O3 | InChI=1S/C25H37N7O3/c1-3- 4-20(7-10-33)29-24-23-21( 30-25(26)31-24)15-28-32(2 3)16-18-6-5-17(13-22(18)3 4-2)14-27-19-8-11-35-12-9 -19/h5-6,13,15,19-20,27,3 3H,3-4,7-12,14,16H2,1-2H3 ,(H3,26,29,30,31)/t20-/m0 /s1; PVTVUOZOPYPPBJ-FQEVSTJZSA-N |
CCC[C@@H](CCO)Nc1c2c(cnn2Cc3ccc(cc3OC)CN C4CCOCC4)nc(n1)N; CCC[CH](CCO)Nc1nc(N)nc 2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12; CCC[C@ @H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4 )cc3OC)c12; CCCC(CCO)Nc1c2c(cnn2Cc3ccc(c c3OC)CNC4CCOCC4)nc(n1)N; CCCC(CCO)Nc1nc( N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12 |
(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol |
| 38271 | QCY | 0 | C26 H22 N2 O S2 | InChI=1S/C26H21N2OS2/c1-2 7-20-7-3-5-9-23(20)30-25( 27)15-12-18-11-14-22(29)1 9(17-18)13-16-26-28(2)21- 8-4-6-10-24(21)31-26/h3-1 7H,1-2H3/q+1/p+1; ZYZHFHLUSJZEIK-UHFFFAOYSA-O |
C[n+]1c(sc2ccccc12)/C=C/c3ccc(O)c(/C=C/c 4sc5ccccc5[n+]4C)c3; C[n+]1c(sc2ccccc12) C=Cc3ccc(O)c(C=Cc4sc5ccccc5[n+]4C)c3; c4 5sc(\C=C\c3cc(C=[C@H]c2sc1ccccc1[n+]2C)c cc3O)[n+](c4cccc5)C; C[n+]1c2ccccc2sc1C= Cc3ccc(c(c3)C=Cc4[n+](c5ccccc5s4)C)O; C[ n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n +](c5ccccc5s4)C)O |
2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) |
| 38272 | QCZ CHEMBL4635134 |
2 | C18 H19 N3 O3 | InChI=1S/C18H19N3O3/c1-19 -17(23)15-9-13(16(22)20-1 4-7-8-14)11-21(18(15)24)1 0-12-5-3-2-4-6-12/h2-6,9, 11,14H,7-8,10H2,1H3,(H,19 ,23)(H,20,22); QZZCUOVXHPAQRQ-UHFFFAOYSA-N |
CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3 CC3; CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(= O)NC3CC3 |
~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide |
| 38273 | QD0 CHEMBL3108879 ZINC000095921109 |
4 | C12 H17 N3 O4 | InChI=1S/C12H17N3O4/c1-7- 3-9(19-14-7)5-11(17)15-6- 8(16)4-10(15)12(18)13-2/h 3,8,10,16H,4-6H2,1-2H3,(H ,13,18)/t8-,10+/m1/s1; RKIBNEDMQYMQFM-SCZZXKLOSA-N |
CNC(=O)[CH]1C[CH](O)CN1C(=O)Cc2onc(C)c2; O=C(N1C(C(=O)NC)CC(O)C1)Cc2onc(c2)C; Cc 1cc(on1)CC(=O)N2CC(CC2C(=O)NC)O; Cc1cc(o n1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O; CNC (=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc2onc(C)c2 |
(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38274 | QD1 CHEMBL4847851 ZINC000014988299 |
2 | C9 H7 Cl N2 | InChI=1S/C9H7ClN2/c10-6-1 -2-9-7(5-6)8(11)3-4-12-9/ h1-5H,(H2,11,12); ANAOKPHXXDXCAL-UHFFFAOYSA-N |
Clc1ccc2nccc(N)c2c1; Nc1ccnc2ccc(Cl)cc12 ; c1cc2c(cc1Cl)c(ccn2)N |
6-chloroquinolin-4-amine |
| 38275 | QD2 | 1 | C22 H29 N5 O5 S | InChI=1S/C22H29N5O5S/c1-2 3-33(29,30)20-13-17(14-24 -22(20)31-3)27-10-11-32-1 9-5-4-15(12-18(19)27)21(2 8)25-16-6-8-26(2)9-7-16/h 4-5,12-14,16,23H,6-11H2,1 -3H3,(H,25,28); NNWATAZUOWDGHZ-UHFFFAOYSA-N |
CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C (=O)NC4CCN(CC4)C; CN[S](=O)(=O)c1cc(cnc1 OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4 |
4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
| 38276 | QD3 CHEMBL1324993 ZINC000000810960 |
1 | C13 H17 F3 N2 O2 | InChI=1S/C13H17F3N2O2/c14 -13(15,16)12-9-5-2-1-3-6- 10(9)18(17-12)8-4-7-11(19 )20/h1-8H2,(H,19,20); MRDPUIPVAFRUGL-UHFFFAOYSA-N |
OC(=O)CCCn1nc(c2CCCCCc12)C(F)(F)F; C1CCc 2c(n(nc2C(F)(F)F)CCCC(=O)O)CC1; FC(F)(F) c1nn(CCCC(=O)O)c2CCCCCc12 |
4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid |
| 38277 | QD4 | 2 | C20 H17 Cl N4 O2 | InChI=1S/C20H17ClN4O2/c21 -13-5-6-18-16(9-13)15(7-8 -25(18)20(22)27)19(26)24- 17-11-23-10-12-3-1-2-4-14 (12)17/h1-6,9-11,15H,7-8H 2,(H2,22,27)(H,24,26)/t15 -/m1/s1; RKWNGNYSSGAJBH-OAHLLOKOSA-N |
NC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2c cccc21; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN (c4c3cc(cc4)Cl)C(=O)N; NC(=O)N1CC[CH](C( =O)Nc2cncc3ccccc23)c4cc(Cl)ccc14; c1ccc2 c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)C(=O )N; NC(=O)N1CC[C@@H](C(=O)Nc2cncc3ccccc2 3)c4cc(Cl)ccc14 |
(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide |
| 38278 | QD5 CHEMBL4648431 |
1 | C20 H20 N4 O3 | InChI=1S/C20H20N4O3/c1-21 -19(26)16-9-13(18(25)23-1 4-5-6-14)11-24(20(16)27)1 0-12-3-2-4-17-15(12)7-8-2 2-17/h2-4,7-9,11,14,22H,5 -6,10H2,1H3,(H,21,26)(H,2 3,25); PDCBJZVPIGAEBL-UHFFFAOYSA-N |
CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3) C(=O)NC4CC4; CNC(=O)C1=CC(=CN(Cc2cccc3[n H]ccc23)C1=O)C(=O)NC4CC4 |
~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide |
| 38279 | QD6 | 8 | C26 H29 Cl N4 O3 | InChI=1S/C26H29ClN4O3/c1- 15-11-20-22(18-7-9-19(27) 10-8-18)21(23(25(32)33)34 -26(3,4)5)16(2)29-24(20)3 1(15)14-17-12-28-30(6)13- 17/h7-13,23H,14H2,1-6H3,( H,32,33)/t23-/m0/s1; LPFULWWLZWWADL-QHCPKHFHSA-N |
Cn1cc(Cn2c(C)cc3c2nc(C)c([C@H](OC(C)(C)C )C(O)=O)c3c4ccc(Cl)cc4)cn1; Cc1cc2c(c(c( nc2n1Cc3cnn(c3)C)C)C(C(=O)O)OC(C)(C)C)c4 ccc(cc4)Cl; Cn1cc(Cn2c(C)cc3c(c4ccc(Cl)c c4)c(C(OC(C)(C)C)C(=O)O)c(C)nc23)cn1; Cn 1cc(Cn2c(C)cc3c2nc(C)c([CH](OC(C)(C)C)C( O)=O)c3c4ccc(Cl)cc4)cn1; Cc1cc2c(c(c(nc2 n1Cc3cnn(c3)C)C)[C@@H](C(=O)O)OC(C)(C)C) c4ccc(cc4)Cl |
(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid |
| 38280 | QD7 CHEMBL112710 ZINC000020028798 |
2 | C4 H12 N O2 P | InChI=1S/C4H12NO2P/c1-8(6 ,7)4-2-3-5/h2-5H2,1H3,(H, 6,7); NHVRIDDXGZPJTJ-UHFFFAOYSA-N |
C(CCP(C)(O)=O)N; C[P](O)(=O)CCCN; CP(=O) (CCCN)O |
(R)-(3-aminopropyl)methylphosphinic acid |
| 38281 | QD8 | 3 | C9 H14 O5 | InChI=1S/C9H14O5/c1-2-3-4 -6(5-7(10)11)8(12)9(13)14 /h6H,2-5H2,1H3,(H,10,11)( H,13,14)/t6-/m0/s1; RVKQLIHFWCFUHE-LURJTMIESA-N |
CCCC[C@@H](CC(O)=O)C(=O)C(O)=O; CCCCC(CC (=O)O)C(=O)C(=O)O; CCCC[C@@H](CC(=O)O)C( =O)C(=O)O; CCCC[CH](CC(O)=O)C(=O)C(O)=O |
(S)-3-butyl-2-oxopentanedioic acid; (3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid |
| 38282 | QD9 | 2 | C25 H23 Cl N4 O | InChI=1S/C25H23ClN4O/c1-2 9(2)22-10-11-24(28-16-22) 30(17-18-6-5-8-21(26)12-1 8)25(31)13-20-15-27-14-19 -7-3-4-9-23(19)20/h3-12,1 4-16H,13,17H2,1-2H3; UJFDJUBIAPUKQV-UHFFFAOYSA-N |
CN(C)c1cnc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cc1c ncc2ccccc21; CN(C)c1ccc(nc1)N(Cc2cccc(Cl )c2)C(=O)Cc3cncc4ccccc34; CN(C)c1ccc(nc1 )N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4 |
N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide |
| 38283 | QDA CHEMBL392394 ZINC000003996034 |
2 | C15 H23 N5 O2 S | InChI=1S/C15H23N5O2S/c1-2 3-15-18-13(16-10-6-2-3-7- 10)12(20(21)22)14(19-15)1 7-11-8-4-5-9-11/h10-11H,2 -9H2,1H3,(H2,16,17,18,19); GSGVDKOCBKBMGG-UHFFFAOYSA-N |
CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O- ])=O; c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2N C3CCCC3)SC; CSc1nc(c(c(n1)NC2CCCC2)[N+]( =O)[O-])NC3CCCC3 |
N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine |
| 38284 | QDB CHEMBL192648 ZINC000002504355 |
1 | C14 H10 O3 | InChI=1S/C14H10O3/c15-13( 10-4-2-1-3-5-10)11-6-8-12 (9-7-11)14(16)17/h1-9H,(H ,16,17); IFQUPKAISSPFTE-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)C(=O)c2ccccc2; OC(=O)c1c cc(cc1)C(=O)c1ccccc1; c1ccc(cc1)C(=O)c2c cc(cc2)C(=O)O |
4-benzoylbenzoic acid |
| 38285 | QDC | 3 | C9 H14 O5 | InChI=1S/C9H14O5/c1-2-3-4 -6(5-7(10)11)8(12)9(13)14 /h6H,2-5H2,1H3,(H,10,11)( H,13,14)/t6-/m1/s1; RVKQLIHFWCFUHE-ZCFIWIBFSA-N |
CCCC[C@H](CC(O)=O)C(=O)C(O)=O; CCCCC(CC( =O)O)C(=O)C(=O)O; CCCC[C@H](CC(=O)O)C(=O )C(=O)O; CCCC[CH](CC(O)=O)C(=O)C(O)=O |
(R)-3-butyl-2-oxopentanedioic acid; (3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid |
| 38286 | QDD | 0 | C12 H10 N2 O4 | InChI=1S/C12H10N2O4/c13-8 -3-1-2-7-6(5-10(15)16)4-9 (12(17)18)14-11(7)8/h1-4H ,5,13H2,(H,15,16)(H,17,18 ); GLEDWRQWHYYQNO-UHFFFAOYSA-N |
Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O; c1cc2c (cc(nc2c(c1)N)C(=O)O)CC(=O)O |
2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid |
| 38287 | QDE CHEMBL4645570 |
1 | C18 H24 N4 O4 S | InChI=1S/C18H24N4O4S/c1-2 1(2)12-13-5-6-17-16(9-13) 22(7-8-26-17)14-10-15(20- 27(4,23)24)18(25-3)19-11- 14/h5-6,9-11,20H,7-8,12H2 ,1-4H3; SAHCNYAOSGATSF-UHFFFAOYSA-N |
CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS (=O)(=O)C; COc1ncc(cc1N[S](C)(=O)=O)N2CC Oc3ccc(CN(C)C)cc23 |
~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide |
| 38288 | QDF | 2 | C19 H14 Cl N3 O2 | InChI=1S/C19H14ClN3O2/c20 -12-5-6-16-14(7-12)15(8-1 8(24)22-16)19(25)23-17-10 -21-9-11-3-1-2-4-13(11)17 /h1-7,9-10,15H,8H2,(H,22, 24)(H,23,25)/t15-/m1/s1; WGORDSNJHZEQJN-OAHLLOKOSA-N |
c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc 4)Cl; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O )Nc4c3cc(cc4)Cl; Clc1ccc2NC(=O)CC(c2c1)C (=O)Nc1cncc2ccccc21; Clc1ccc2NC(=O)C[CH] (C(=O)Nc3cncc4ccccc34)c2c1; Clc1ccc2NC(= O)C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38289 | QDG | 1 | C35 H37 Br Cl2 N8 O4 | InChI=1S/C35H37BrCl2N8O4/ c1-3-24(2)46-34(47)45(23- 41-46)27-7-11-33(31(36)17 -27)43-14-12-42(13-15-43) 26-5-8-28(9-6-26)48-18-29 -19-49-35(50-29,20-44-22- 39-21-40-44)30-10-4-25(37 )16-32(30)38/h4-11,16-17, 21-24,29H,3,12-15,18-20H2 ,1-2H3/t24-,29-,35-/m0/s1; NLXNHAVZBIVNIU-DIDXUJGESA-N |
CC[CH](C)N1N=CN(C1=O)c2ccc(N3CCN(CC3)c4c cc(OC[CH]5CO[C](Cn6cncn6)(O5)c7ccc(Cl)cc 7Cl)cc4)c(Br)c2; CCC(C)N1C(=O)N(C=N1)c2c cc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OCC5COC(O 5)(Cn6cncn6)c7ccc(cc7Cl)Cl; CC[C@H](C)N1 N=CN(C1=O)c2ccc(N3CCN(CC3)c4ccc(OC[C@H]5 CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4) c(Br)c2; C(C6(c1c(Cl)cc(cc1)Cl)OCC(COc2c cc(cc2)N5CCN(c3ccc(cc3Br)N4C(N(N=C4)C(C) CC)=O)CC5)O6)n7cncn7; CC[C@H](C)N1C(=O)N (C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4) OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl) Cl |
4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| 38290 | QDH CHEMBL4471306 DB19160 |
1 | C20 H24 Cl F N4 O9 P2 | InChI=1S/C20H24ClFN4O9P2/ c1-10(11-4-2-3-5-13(11)22 )24-14-6-16(21)25-19-12(1 4)7-23-26(19)20-18(28)17( 27)15(35-20)8-34-37(32,33 )9-36(29,30)31/h2-7,10,15 ,17-18,20,27-28H,8-9H2,1H 3,(H,24,25)(H,32,33)(H2,2 9,30,31)/t10-,15+,17+,18+ ,20+/m0/s1; MFYLCAMJNGIULC-KCVUFLITSA-N |
CC(c1ccccc1F)Nc2cc(nc3c2cnn3C4C(C(C(O4)C OP(=O)(CP(=O)(O)O)O)O)O)Cl; C[C@@H](c1cc ccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H] ([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl; C [CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P ](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccc cc4F; C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]3 O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@H](O )[C@H]3O)c4ccccc4F |
[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 38291 | QDI ZINC000002548526 |
1 | C9 H7 F N2 | InChI=1S/C9H7FN2/c10-6-1- 2-9-7(5-6)8(11)3-4-12-9/h 1-5H,(H2,11,12); HDANYIGFTBVIBA-UHFFFAOYSA-N |
Nc1ccnc2ccc(F)cc12; Fc1ccc2nccc(N)c2c1; c1cc2c(cc1F)c(ccn2)N |
6-fluoroquinolin-4-amine |
| 38292 | QDJ | 1 | C37 H39 N3 O3 S | InChI=1S/C37H39N3O3S/c1-3 7(2,3)43-36(42)40-31(21-2 9-16-8-14-27-12-4-6-18-32 (27)29)25-44-34(35(41)39- 24-26-11-10-20-38-23-26)2 2-30-17-9-15-28-13-5-7-19 -33(28)30/h4-20,23,31,34H ,21-22,24-25H2,1-3H3,(H,3 9,41)(H,40,42)/t31-,34+/m 1/s1; QMZMGTUKKSNABX-FJQKOURKSA-N |
CC(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3 cccc4c3cccc4)C(=O)NCc5cccnc5; CC(C)(C)OC (=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3c ccc4c3cccc4)C(=O)NCc5cccnc5; CC(C)(OC(=O )NC(CSC(Cc2c1c(cccc1)ccc2)C(NCc3cnccc3)= O)Cc5c4ccccc4ccc5)C; CC(C)(C)OC(=O)N[C@@ H](CS[C@@H](Cc1cccc2ccccc12)C(=O)NCc3ccc nc3)Cc4cccc5ccccc45; CC(C)(C)OC(=O)N[CH] (CS[CH](Cc1cccc2ccccc12)C(=O)NCc3cccnc3) Cc4cccc5ccccc45 |
tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38293 | QDK DB03947 ZINC000000902219 |
4 | C5 H10 O5 | InChI=1S/C5H10O5/c6-1-3(8 )5(10)4(9)2-7/h3,5-8,10H, 1-2H2/t3-,5-/m0/s1; ZAQJHHRNXZUBTE-UCORVYFPSA-N |
OC[C@H](O)[C@H](O)C(=O)CO; O=C(CO)C(O)C( O)CO; C(C(C(C(=O)CO)O)O)O; C([C@@H]([C@@ H](C(=O)CO)O)O)O; OC[CH](O)[CH](O)C(=O)C O |
L-ribulose |
| 38294 | QDL ZINC000008214964 |
1 | C40 H56 O3 | InChI=1S/C40H56O3/c1-29(1 7-13-19-31(3)21-22-36-33( 5)25-34(41)26-37(36,6)7)1 5-11-12-16-30(2)18-14-20- 32(4)23-24-40-38(8,9)27-3 5(42)28-39(40,10)43-40/h1 1-24,34-35,41-42H,25-28H2 ,1-10H3/b12-11+,17-13+,18 -14+,22-21+,24-23+,29-15+ ,30-16+,31-19+,32-20+/t34 -,35+,39-,40+/m1/s1; OFNSUWBAQRCHAV-OYQUVCAXSA-N |
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/ C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[ C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C; CC1=C( C=CC(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)(C)C[CH] (O)C1; CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC( =CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C) O)(C)C)C)C; CC1=C(\C=C\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)(C)C[C@H](O)C1 |
Antheraxanthin; (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
| 38295 | QDM ZINC000008436954 |
4 | C18 H31 N3 O14 P2 | InChI=1S/C18H31N3O14P2/c1 -8-6-21(18(26)19-16(8)25) 12-5-10(22)11(33-12)7-31- 36(27,28)35-37(29,30)34-1 7-15(24)13(20(3)4)14(23)9 (2)32-17/h6,9-15,17,22-24 H,5,7H2,1-4H3,(H,27,28)(H ,29,30)(H,19,25,26)/t9-,1 0+,11-,12-,13+,14-,15-,17 -/m1/s1; IJJNPDQFXCRKOA-WHRNYZGVSA-N |
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(= O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2) N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O; C[CH]1O[ CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C [CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH]([C H]1O)N(C)C; CC1C(C(C(C(O1)OP(=O)(O)OP(=O )(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N (C)C)O; O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)CO P(=O)(OP(=O)(OC3OC(C(O)C(N(C)C)C3O)C)O)O )C; C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O) OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC 3=O)[C@H](O)[C@H]([C@@H]1O)N(C)C |
TDP-3,6-dideoxy-3-N,N-dimethylglucose |
| 38296 | QDN CHEMBL1294 DB00908 ZINC000003831405 |
17 | C20 H24 N2 O2 | InChI=1S/C20H24N2O2/c1-3- 13-12-22-9-7-14(13)10-19( 22)20(23)16-6-8-21-18-5-4 -15(24-2)11-17(16)18/h3-6 ,8,11,13-14,19-20,23H,1,7 ,9-10,12H2,2H3/t13-,14-,1 9+,20-/m0/s1; LOUPRKONTZGTKE-LHHVKLHASA-N |
COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O; COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H ]4CC[N@]3C[C@@H]4C=C)O; COc1ccc2nccc([C@ H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2 c1; COc1ccc2nccc([CH](O)[CH]3C[CH]4CC[N] 3C[CH]4C=C)c2c1; O(c4cc1c(nccc1C(O)C2N3C CC(C2)C(/C=C)C3)cc4)C |
Quinidine; (9S)-6'-methoxycinchonan-9-ol |
| 38297 | QDO CHEMBL4860684 ZINC000003190997 |
0 | C10 H8 Br2 N2 O2 | InChI=1S/C10H8Br2N2O2/c11 -5-9-10(6-12)14(16)8-4-2- 1-3-7(8)13(9)15/h1-4H,5-6 H2; DQKNFTLRMZOAMG-UHFFFAOYSA-N |
[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12 ; [O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr ; c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr) [O-] |
2,3-bis(bromomethyl)quinoxaline 1,4-dioxide; conoidin A |
| 38298 | QDP | 1 | C38 H39 N3 O3 S | InChI=1S/C38H39N3O3S/c1-3 8(2,3)44-37(43)41-32(23-3 0-16-8-14-28-12-4-6-18-33 (28)30)26-45-35(36(42)40- 22-20-27-11-10-21-39-25-2 7)24-31-17-9-15-29-13-5-7 -19-34(29)31/h4-19,21-22, 25,32,35H,20,23-24,26H2,1 -3H3,(H,41,43)/b40-22+/t3 2-,35-/m0/s1; WPQAJKXCNNRUNA-QBJSWQKPSA-N |
CC(C)(C)OC(=O)N[CH](CS[CH](Cc1cccc2ccccc 12)C(=O)N=CCc3cccnc3)Cc4cccc5ccccc45; CC (C)(C)OC(=O)N[C@H](CS[C@@H](Cc1cccc2cccc c12)C(=O)N=CCc3cccnc3)Cc4cccc5ccccc45; C C(C)(C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3c ccc4c3cccc4)C(=O)N=CCc5cccnc5; CC(C)(C)O C(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc 3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5; C(SCC (NC(=O)OC(C)(C)C)Cc2c1ccccc1ccc2)(C(=O)\ N=C\Cc3cnccc3)Cc4cccc5c4cccc5 |
tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38299 | QDQ | 1 | C54 H62 F N13 O18 | InChI=1S/C54H62FN13O18/c1 -30(69)56-23-33-28-68(54( 83)86-33)32-11-12-40(37(5 5)21-32)65-13-15-66(16-14 -65)45(74)29-85-20-19-84- 18-17-67-27-31(63-64-67)2 2-58-52(81)39(62-51(80)36 -7-4-10-43(72)48(36)77)25 -59-53(82)38(61-50(79)35- 6-3-9-42(71)47(35)76)24-5 7-44(73)26-60-49(78)34-5- 2-8-41(70)46(34)75/h2-12, 21,27,33,38-39,70-72,75-7 7H,13-20,22-26,28-29H2,1H 3,(H,56,69)(H,57,73)(H,58 ,81)(H,59,82)(H,60,78)(H, 61,79)(H,62,80)/t33?,38-, 39-/m0/s1; OQJXSZUYGZCTKY-ACLHFTIQSA-N |
CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(= O)COCCOCCn4cc(CNC(=O)[C@H](CNC(=O)[C@H]( CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc( O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2; CC( =O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3 )C(=O)COCCOCCn4cc(nn4)CNC(=O)C(CNC(=O)C( CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc( c6O)O)NC(=O)c7cccc(c7O)O; CC(=O)NCC1CN(C (=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc( CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5 cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cc cc(O)c7O)nn4)c(F)c2; CC(=O)NC[C@H]1CN(C( =O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOC Cn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC( =O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O) O)NC(=O)c7cccc(c7O)O |
~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide |
| 38300 | QDR ZINC000007897353 |
2 | C12 H12 N6 O S | InChI=1S/C12H12N6OS/c1-6- 3-2-4-7-9(6)14-8(15-10(7) 19)5-20-12-16-11(13)17-18 -12/h2-4H,5H2,1H3,(H,14,1 5,19)(H3,13,16,17,18); QKVQIWSGFFADDR-UHFFFAOYSA-N |
Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N; Cc1 cccc2C(=O)NC(=Nc12)CSc3[nH]nc(N)n3; O=C1 c3cccc(c3N=C(N1)CSc2nc(nn2)N)C |
2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one |
| 38301 | QDS ZINC000001626850 |
0 | C12 H11 N3 O4 | InChI=1S/C12H11N3O4/c16-6 -10(12(18)19)15-11(17)9-5 -13-7-3-1-2-4-8(7)14-9/h1 -5,10,16H,6H2,(H,15,17)(H ,18,19)/t10-/m1/s1; LGAAZSQTJQTRJH-SNVBAGLBSA-N |
O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO; OC[C@@H ](NC(=O)c1cnc2ccccc2n1)C(O)=O; c1ccc2c(c 1)ncc(n2)C(=O)NC(CO)C(=O)O; c1ccc2c(c1)n cc(n2)C(=O)N[C@H](CO)C(=O)O; OC[CH](NC(= O)c1cnc2ccccc2n1)C(O)=O |
N-(quinoxalin-2-ylcarbonyl)-D-serine |
| 38302 | QDT CHEMBL4747201 |
4 | C23 H23 N3 O5 | InChI=1S/C23H23N3O5/c1-13 (2)11-31-22(28)23(8-9-23) 21-24-19-18(29-3)7-6-17(2 6(19)25-21)14-4-5-16-15(1 0-14)12-30-20(16)27/h4-7, 10,13H,8-9,11-12H2,1-3H3; LUUUHUYQTLUIDG-UHFFFAOYSA-N |
COc1ccc(n2nc(nc12)C3(CC3)C(=O)OCC(C)C)c4 ccc5C(=O)OCc5c4; CC(C)COC(=O)C1(CC1)c2nc 3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC |
2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate |
| 38303 | QDU | 2 | C17 H12 F2 N2 O | InChI=1S/C17H12F2N2O/c18- 13-5-6-15(19)12(7-13)8-17 (22)21-16-10-20-9-11-3-1- 2-4-14(11)16/h1-7,9-10H,8 H2,(H,21,22); HVJFVWJFZCGHBH-UHFFFAOYSA-N |
Fc1ccc(F)c(CC(=O)Nc2cncc3ccccc23)c1; c1c cc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)F; Fc1cc( CC(=O)Nc2cncc3ccccc32)c(F)cc1 |
2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38304 | QDV CHEMBL4642007 |
1 | C32 H38 N4 O3 S | InChI=1S/C32H38N4O3S/c1-3 2(2,3)39-31(38)36-26(19-2 5-21-35-28-14-8-7-13-27(2 5)28)22-40-29(18-23-10-5- 4-6-11-23)30(37)34-17-15- 24-12-9-16-33-20-24/h4-14 ,16,20-21,26,29,35H,15,17 -19,22H2,1-3H3,(H,34,37)( H,36,38)/t26-,29+/m0/s1; DCMGBSFQWSUWCW-LITSAYRRSA-N |
CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSC(C c3ccccc3)C(=O)NCCc4cccnc4; CC(C)(C)OC(=O )N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3cc ccc3)C(=O)NCCc4cccnc4; CC(C)(C)OC(=O)N[C H](CS[CH](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3 c[nH]c4ccccc34; C(C(NC(OC(C)(C)C)=O)Cc1c nc2ccccc12)SC(C(=O)NCCc3cccnc3)Cc4ccccc4 ; CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1ccccc1 )C(=O)NCCc2cccnc2)Cc3c[nH]c4ccccc34 |
tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38305 | QDW CHEMBL4638471 |
1 | C18 H22 N4 O4 S | InChI=1S/C18H22N4O4S/c1-2 1-6-8-27(23,24)20-15-10-1 4(11-19-18(15)25-2)22-5-7 -26-17-4-3-13(12-21)9-16( 17)22/h3-4,9-11,20H,5-8,1 2H2,1-2H3; GANNRSDWVBVNOE-UHFFFAOYSA-N |
COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN 2c4c3; CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc 4c3cc(cc4)C1 |
methoxymethyloxathiatetraazatetracyclodocosahexaenedione |
| 38306 | QDX | 3 | C37 H40 N8 O10 | InChI=1S/C37H40N8O10/c38- 33-43-30-26(42-34(39)45-1 4-11-36(52,53)37(30,45)44 -33)18-54-35(51)41-13-4-2 -1-3-12-40-31(48)19-5-8-2 2(32(49)50)25(15-19)29-23 -9-6-20(46)16-27(23)55-28 -17-21(47)7-10-24(28)29/h 5-10,15-17,26,30,46,52-53 H,1-4,11-14,18H2,(H2,39,4 2)(H,40,48)(H,41,51)(H,49 ,50)(H3,38,43,44)/t26-,30 -,37-/m0/s1; QYIDXDKVZLZDCC-FLQVHQRGSA-N |
NC=1NC2C(N=C(N)N3CCC(O)(O)C23N=1)COC(=O) NCCCCCCNC(=O)c1cc(C=2c3ccc(O)cc3OC3=CC(= O)C=CC=23)c(cc1)C(=O)O; c1cc(c(cc1C(=O)N CCCCCCNC(=O)OCC2C3C4(C(CCN4C(=N2)N)(O)O) N=C(N3)N)C5=C6C=CC(=O)C=C6Oc7c5ccc(c7)O) C(=O)O; NC1=N[C@@]23[C@@H](N1)[C@H](COC( =O)NCCCCCCNC(=O)c4ccc(C(O)=O)c(c4)C5=C6C =CC(=O)C=C6Oc7cc(O)ccc57)N=C(N)N2CCC3(O) O; c1cc(c(cc1C(=O)NCCCCCCNC(=O)OC[C@H]2[ C@H]3[C@]4(C(CCN4C(=N2)N)(O)O)N=C(N3)N)C 5=C6C=CC(=O)C=C6Oc7c5ccc(c7)O)C(=O)O; NC 1=N[C]23[CH](N1)[CH](COC(=O)NCCCCCCNC(=O )c4ccc(C(O)=O)c(c4)C5=C6C=CC(=O)C=C6Oc7c c(O)ccc57)N=C(N)N2CCC3(O)O |
(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid |
| 38307 | QDY CHEMBL4644724 |
2 | C34 H39 N3 O3 S | InChI=1S/C34H39N3O3S/c1-3 4(2,3)40-33(39)37-29(22-2 8-16-9-15-27-14-7-8-17-30 (27)28)24-41-31(21-25-11- 5-4-6-12-25)32(38)36-20-1 8-26-13-10-19-35-23-26/h4 -17,19,23,29,31H,18,20-22 ,24H2,1-3H3,(H,36,38)(H,3 7,39)/t29-,31+/m1/s1; GBALYMNAVPEZPA-VEEOACQBSA-N |
CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[ C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4; CC(C)( C)OC(=O)NC(Cc1cccc2c1cccc2)CSC(Cc3ccccc3 )C(=O)NCCc4cccnc4; CC(C)(C)OC(=O)N[C@@H] (CS[C@@H](Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3 cccc4ccccc34; CC(C)(C)OC(=O)N[CH](CS[CH] (Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3cccc4cccc c34; C(C(NC(OC(C)(C)C)=O)Cc2c1ccccc1ccc2 )SC(C(NCCc3cccnc3)=O)Cc4ccccc4 |
tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38308 | QDZ CHEMBL4747780 |
1 | C21 H21 N7 | InChI=1S/C21H21N7/c1-26(2 )12-14-11-23-28(13-14)18- 7-9-22-21-19(18)24-20(25- 21)16-5-4-6-17-15(16)8-10 -27(17)3/h4-11,13H,12H2,1 -3H3,(H,22,24,25); TVDTXKARIOKJSV-UHFFFAOYSA-N |
Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(c n5)CN(C)C; CN(C)Cc1cnn(c1)c2ccnc3[nH]c(n c23)c4cccc5n(C)ccc45 |
~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine |
| 38309 | QE0 | 4 | C25 H34 Cl N3 O6 | InChI=1S/C25H34ClN3O6/c1- 14(2)23(22-10-15(3)28-35- 22)25(32)29-13-18(30)12-2 0(29)24(31)27-16(4)19-7-6 -17(26)11-21(19)34-9-8-33 -5/h6-7,10-11,14,16,18,20 ,23,30H,8-9,12-13H2,1-5H3 ,(H,27,31)/t16-,18+,20-,2 3+/m0/s1; WKWHAFRANUQYKI-KZHMMYNISA-N |
COCCOc1cc(Cl)ccc1[CH](C)NC(=O)[CH]2C[CH] (O)CN2C(=O)[CH](C(C)C)c3onc(C)c3; COCCOc 1cc(Cl)ccc1[C@H](C)NC(=O)[C@@H]2C[C@@H]( O)CN2C(=O)[C@H](C(C)C)c3onc(C)c3; Cc1cc( on1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C (=O)N[C@@H](C)c3ccc(cc3OCCOC)Cl)O; Cc1cc (on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(C)c3cc c(cc3OCCOC)Cl)O |
(2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38310 | QE2 | 2 | C17 H16 F N O4 S | InChI=1S/C17H16FNO4S/c18- 13-6-8-16(15(10-13)17(20) 21)19-24(22,23)14-7-5-11- 3-1-2-4-12(11)9-14/h5-10, 19H,1-4H2,(H,20,21); AUXOWHLXYGQIFM-UHFFFAOYSA-N |
OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2ccc3CCCCc 3c2; c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3 c(c2)CCCC3 |
5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
| 38311 | QE3 | 2 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 12-5-6-13(19-9-12)7-16(21 )20-15-10-18-8-11-3-1-2-4 -14(11)15/h1-6,8-10H,7H2, (H,20,21); RMUFMFDOQHTPNN-UHFFFAOYSA-N |
Clc1ccc(CC(=O)Nc2cncc3ccccc23)nc1; O=C(C c1ccc(Cl)cn1)Nc1cncc2ccccc21; c1ccc2c(c1 )cncc2NC(=O)Cc3ccc(cn3)Cl |
2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| 38312 | QE4 CHEMBL4640859 |
1 | C34 H39 N3 O3 S | InChI=1S/C34H39N3O3S/c1-3 4(2,3)40-33(39)37-29(22-2 8-16-9-15-27-14-7-8-17-30 (27)28)24-41-31(21-25-11- 5-4-6-12-25)32(38)36-20-1 8-26-13-10-19-35-23-26/h4 -17,19,23,29,31H,18,20-22 ,24H2,1-3H3,(H,36,38)(H,3 7,39)/t29-,31+/m0/s1; GBALYMNAVPEZPA-IGYGKHONSA-N |
CC(OC(NC(CSC(Cc1ccccc1)C(=O)NCCc2cnccc2) Cc3cccc4c3cccc4)=O)(C)C; CC(C)(C)OC(=O)N [C@H](CS[C@H](Cc1ccccc1)C(=O)NCCc2cccnc2 )Cc3cccc4ccccc34; CC(C)(C)OC(=O)NC(Cc1cc cc2c1cccc2)CSC(Cc3ccccc3)C(=O)NCCc4cccnc 4; CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1) C(=O)NCCc2cccnc2)Cc3cccc4ccccc34; CC(C)( C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H]( Cc3ccccc3)C(=O)NCCc4cccnc4 |
tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38313 | QE5 ZINC000033047675 |
4 | C15 H14 F N O4 S | InChI=1S/C15H14FNO4S/c1-9 -3-5-12(7-10(9)2)22(20,21 )17-14-6-4-11(16)8-13(14) 15(18)19/h3-8,17H,1-2H3,( H,18,19); FDKADOFRLAUJSY-UHFFFAOYSA-N |
Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F; Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O) =O |
2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid |
| 38314 | QE8 | 1 | C14 H26 O9 | InChI=1S/C14H26O9/c15-3-5 -1-9(13(21)14(22)10(5)18) 23-4-6-7(16)2-8(17)12(20) 11(6)19/h5-22H,1-4H2/t5-, 6+,7-,8-,9+,10-,11-,12-,1 3-,14+/m1/s1; MMLZDIWCSZCWBQ-JKSPTNTFSA-N |
C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@ H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O) O)O)CO; OC[CH]1C[CH](OC[CH]2[CH](O)C[CH] (O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O; O C[C@H]1C[C@H](OC[C@H]2[C@H](O)C[C@@H](O) [C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@ H]1O; C1C(C(C(C(C1OCC2C(CC(C(C2O)O)O)O)O )O)O)CO |
(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol |
| 38315 | QE9 | 4 | C28 H36 N4 O6 S | InChI=1S/C28H36N4O6S/c1-1 6(2)25(24-10-17(3)31-38-2 4)28(35)32-14-21(33)12-22 (32)27(34)29-13-20-7-6-19 (26-18(4)30-15-39-26)11-2 3(20)37-9-8-36-5/h6-7,10- 11,15-16,21-22,25,33H,8-9 ,12-14H2,1-5H3,(H,29,34)/ t21-,22+,25-/m1/s1; WWEGKLBXPISXSU-OTNCWRBYSA-N |
Cc1cc(on1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[ C@H]2C(=O)NCc3ccc(cc3OCCOC)c4c(ncs4)C)O; COCCOc1cc(ccc1CNC(=O)[CH]2C[CH](O)CN2C( =O)[CH](C(C)C)c3onc(C)c3)c4scnc4C; COCCO c1cc(ccc1CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O )[C@H](C(C)C)c3onc(C)c3)c4scnc4C; Cc1cc( on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NCc3ccc(cc 3OCCOC)c4c(ncs4)C)O |
(2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38316 | QEA CHEMBL4648061 |
1 | C32 H38 N4 O3 S | InChI=1S/C32H38N4O3S/c1-3 2(2,3)39-31(38)36-26(19-2 5-21-35-28-14-8-7-13-27(2 5)28)22-40-29(18-23-10-5- 4-6-11-23)30(37)34-17-15- 24-12-9-16-33-20-24/h4-14 ,16,20-21,26,29,35H,15,17 -19,22H2,1-3H3,(H,34,37)( H,36,38)/t26-,29+/m1/s1; DCMGBSFQWSUWCW-UHSQPCAPSA-N |
CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSC(C c3ccccc3)C(=O)NCCc4cccnc4; C(SC(C(=O)NCC c1cnccc1)Cc2ccccc2)C(Cc3cnc4c3cccc4)NC(= O)OC(C)(C)C; CC(C)(C)OC(=O)N[CH](CS[CH]( Cc1ccccc1)C(=O)NCCc2cccnc2)Cc3c[nH]c4ccc cc34; CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1c ccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 ; CC(C)(C)OC(=O)N[C@@H](CS[C@@H](Cc1cccc c1)C(=O)NCCc2cccnc2)Cc3c[nH]c4ccccc34 |
tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
| 38317 | QEB | 3 | O4 Re4 | InChI=1S/4O.4Re; NXFRRTQSEIQUNR-UHFFFAOYSA-N |
O12[Re]3O4[Re]1O5[Re]2O3[Re]45; O1[Re]O[ Re]1.O2[Re]O[Re]2 |
[Re4(mu3-OH)4(CO)12] |
| 38318 | QEC | 4 | C22 H31 N7 O | InChI=1S/C22H31N7O/c1-3-4 -10-24-21-20-18(26-22(23) 27-21)14-29(28-20)13-16-9 -8-15(11-19(16)30-2)12-25 -17-6-5-7-17/h8-9,11,14,1 7,25H,3-7,10,12-13H2,1-2H 3,(H3,23,24,26,27); CGDCRWDAYYPCJB-UHFFFAOYSA-N |
CCCCNc1nc(N)nc2cn(Cc3ccc(CNC4CCC4)cc3OC) nc12; COc1cc(CNC2CCC2)ccc1Cn1cc2nc(N)nc( NCCCC)c2n1; CCCCNc1c2c(cn(n2)Cc3ccc(cc3O C)CNC4CCC4)nc(n1)N |
N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine |
| 38319 | QED ZINC000058661202 |
3 | C25 H28 N6 O9 | InChI=1S/C25H28N6O9/c32-1 9-7-1-4-16(22(19)35)23(36 )26-10-13-29(14-11-27-24( 37)17-5-2-8-20(33)30(17)3 9)15-12-28-25(38)18-6-3-9 -21(34)31(18)40/h1-9,32,3 5,39-40H,10-15H2,(H,26,36 )(H,27,37)(H,28,38); UPWYYPIMZVCQNS-UHFFFAOYSA-N |
O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1 O)CCNC(=O)C2=CC=CC(=O)N2O)N3O; ON1C(=O)C =CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O) CCNC(=O)c3cccc(O)c3O; c1cc(c(c(c1)O)O)C( =O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O) C3=CC=CC(=O)N3O |
N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide); tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide |
| 38320 | QEE | 6 | C15 H16 N6 O3 | InChI=1S/C15H16N6O3/c1-15 (2,3)24-14(23)10-4-5-12(1 6-8-10)21-13(22)11(9-18-2 1)20-7-6-17-19-20/h4-9,22 H,1-3H3; XGMXSZUIWLEBQB-UHFFFAOYSA-N |
CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2 O; CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3c cnn3)O |
~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate; tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate |
| 38321 | QEF ZINC000008549018 |
2 | C10 H9 F N2 | InChI=1S/C10H9FN2/c1-6-4- 9(12)8-5-7(11)2-3-10(8)13 -6/h2-5H,1H3,(H2,12,13); PTJKTKQKAHCGDF-UHFFFAOYSA-N |
Cc1cc(N)c2cc(F)ccc2n1; Fc1ccc2nc(C)cc(N) c2c1; Cc1cc(c2cc(ccc2n1)F)N |
6-fluoro-2-methylquinolin-4-amine |
| 38322 | QEG CHEMBL3675596 ZINC000098209333 |
1 | C29 H32 N4 O6 S | InChI=1S/C29H32N4O6S/c30- 25(34)13-11-23(29(39)33-2 2(28(31)38)12-15-27(36)37 )32-26(35)14-8-18-6-9-20( 10-7-18)24-16-21(17-40-24 )19-4-2-1-3-5-19/h1-7,9-1 0,16-17,22-23H,8,11-15H2, (H2,30,34)(H2,31,38)(H,32 ,35)(H,33,39)(H,36,37)/t2 2-,23-/m0/s1; KGPPRBTYRFIDAL-GOTSBHOMSA-N |
c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@ @H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O) N; c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N C(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)N; NC(= O)CC[C@H](NC(=O)CCc1ccc(cc1)c2scc(c2)c3c cccc3)C(=O)N[C@@H](CCC(O)=O)C(N)=O; NC(= O)CC[CH](NC(=O)CCc1ccc(cc1)c2scc(c2)c3cc ccc3)C(=O)N[CH](CCC(O)=O)C(N)=O; O=C(O)C CC(C(=O)N)NC(=O)C(NC(=O)CCc3ccc(c2scc(c1 ccccc1)c2)cc3)CCC(=O)N |
N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine |
| 38323 | QEH | 0 | C26 H55 N O7 P | InChI=1/C26H54NO7P/c1-5-6 -7-8-9-10-11-12-13-14-15- 16-17-18-19-20-26(29)32-2 3-25(28)24-34-35(30,31)33 -22-21-27(2,3)4/h25,28H,5 -24H2,1-4H3/p+1/t25-/m1/s 1/fC26H55NO7P/h30H/q+1; IHNKQIMGVNPMTC-LLOMDWCMDD |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O) (O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)(O CC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCC CCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC C[N+](C)(C)C; CCCCCCCCCCCCCCCCCC(=O)OC[C @@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C; CCC CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+] (C)(C)C)O |
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE; L-ALPHA LYSOPHOSPHATIDYLCHOLINE,STEAROYL |
| 38324 | QEI DB14732 ZINC000006622451 |
10 | C12 H15 N5 O3 | InChI=1S/C12H15N5O3/c13-1 2-16-10-8(11(20)17-12)5(4 -15-10)3-14-6-1-2-7(18)9( 6)19/h1-2,4,6-7,9,14,18-1 9H,3H2,(H4,13,15,16,17,20 )/t6-,7-,9+/m0/s1; WYROLENTHWJFLR-ACLDMZEESA-N |
c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@ @H]([C@@H]3O)O; NC1=Nc2[nH]cc(CN[C@H]3C= C[C@H](O)[C@@H]3O)c2C(=O)N1; c1c(c2c([nH ]1)N=C(NC2=O)N)CNC3C=CC(C3O)O; NC1=Nc2[n H]cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1; O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O |
2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one; queuine |
| 38325 | QEJ CHEMBL1076165 ZINC000022005601 |
0 | C5 H8 N2 | InChI=1S/C5H8N2/c6-4-5-2- 1-3-7-5/h5,7H,1-3H2/t5-/m 0/s1; ALSCEGDXFJIYES-YFKPBYRVSA-N |
N#CC1NCCC1; C1CC(NC1)C#N; N#C[CH]1CCCN1; C1C[C@H](NC1)C#N; N#C[C@@H]1CCCN1 |
(2S)-pyrrolidine-2-carbonitrile |
| 38326 | QEK | 2 | C23 H19 Cl N4 O5 S | InChI=1S/C23H19ClN4O5S/c1 -13-6-9-20(17(10-13)23(30 )31)28-34(32,33)15-8-7-14 (18(24)11-15)12-25-22(29) 21-16-4-2-3-5-19(16)26-27 -21/h2-11,28H,12H2,1H3,(H ,25,29)(H,26,27)(H,30,31); NSKPBPLCHQGVNU-UHFFFAOYSA-N |
Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2) Cl)CNC(=O)c3c4ccccc4[nH]n3; Cc1ccc(N[S]( =O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(C l)c2)c(c1)C(O)=O |
2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid |
| 38327 | QEL CHEMBL49623 ZINC000000014669 |
12 | C21 H27 N O2 | InChI=1S/C21H27NO2/c1-16( 21(24)19-7-9-20(23)10-8-1 9)22-13-11-18(12-14-22)15 -17-5-3-2-4-6-17/h2-10,16 ,18,21,23-24H,11-15H2,1H3 /t16-,21-/m0/s1; UYNVMODNBIQBMV-KKSFZXQISA-N |
CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3; C[CH]([CH](O)c1ccc(O)cc1)N2CC[CH](CC2)Cc 3ccccc3; OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3c cccc3)C; C[C@@H](C(c1ccc(cc1)O)O)N2CCC(C C2)Cc3ccccc3; C[C@@H]([C@H](O)c1ccc(O)cc 1)N2CC[C@@H](CC2)Cc3ccccc3 |
4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; Ifenprodil |
| 38328 | QEM CHEMBL305195 ZINC000000007042 |
14 | C22 H29 N O2 | InChI=1S/C22H29NO2/c1-17( 22(25)20-7-9-21(24)10-8-2 0)16-23-13-11-19(12-14-23 )15-18-5-3-2-4-6-18/h2-10 ,17,19,22,24-25H,11-16H2, 1H3/t17-,22+/m0/s1; WVZSEUPGUDIELE-HTAPYJJXSA-N |
C[CH](CN1CC[CH](CC1)Cc2ccccc2)[CH](O)c3c cc(O)cc3; Oc1ccc(cc1)C(O)C(CN2CCC(CC2)Cc 3ccccc3)C; C[C@@H](CN1CC[C@H](CC1)Cc2ccc cc2)[C@@H](O)c3ccc(O)cc3; CC(CN1CCC(CC1) Cc2ccccc2)C(c3ccc(cc3)O)O; C[C@@H](CN1CC C(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O |
4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol |
| 38329 | QEN | 2 | C17 H12 Br N O4 S | InChI=1S/C17H12BrNO4S/c18 -13-6-8-16(15(10-13)17(20 )21)19-24(22,23)14-7-5-11 -3-1-2-4-12(11)9-14/h1-10 ,19H,(H,20,21); PWDMGXXYINBNBW-UHFFFAOYSA-N |
OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3cccc c3c2; c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc 3C(=O)O)Br |
5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid |
| 38330 | QEO ZINC000031983388 |
4 | C17 H23 N5 O7 | InChI=1S/C17H23N5O7/c18-1 7-20-14-10(15(28)21-17)6( 3-19-7-1-2-8(24)11(7)25)4 -22(14)16-13(27)12(26)9(5 -23)29-16/h1-2,4,7-9,11-1 3,16,19,23-27H,3,5H2,(H3, 18,20,21,28)/t7-,8-,9+,11 +,12+,13+,16+/m0/s1; QQXQGKSPIMGUIZ-AEZJAUAXSA-N |
c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)C O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@ H]4O)O; NC1=Nc2n(cc(CN[CH]3C=C[CH](O)[CH ]3O)c2C(=O)N1)[CH]4O[CH](CO)[CH](O)[CH]4 O; c1c(c2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O )N)CNC4C=CC(C4O)O; NC1=Nc2n(cc(CN[C@H]3C =C[C@H](O)[C@@H]3O)c2C(=O)N1)[C@@H]4O[C@ H](CO)[C@@H](O)[C@H]4O; OC1C=CC(NCc2cn(c 3N=C(N)NC(=O)c32)C2OC(CO)C(O)C2O)C1O |
2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| 38331 | QEP | 1 | C33 H38 N4 O3 S | InChI=1S/C33H38N4O3S/c1-3 3(2,3)40-32(39)37-28(19-2 6-14-9-13-25-12-7-8-17-29 (25)26)22-41-23-30(36-27- 15-5-4-6-16-27)31(38)35-2 1-24-11-10-18-34-20-24/h4 -18,20,28,30,36H,19,21-23 H2,1-3H3,(H,35,38)(H,37,3 9)/t28-,30-/m0/s1; HETXCPWULXTMSC-JDXGNMNLSA-N |
CC(OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc2cncc c2)Cc3cccc4c3cccc4)(C)C; CC(C)(C)OC(=O)N C(Cc1cccc2c1cccc2)CSCC(C(=O)NCc3cccnc3)N c4ccccc4; CC(C)(C)OC(=O)N[C@H](CSC[C@H]( Nc1ccccc1)C(=O)NCc2cccnc2)Cc3cccc4ccccc3 4; CC(C)(C)OC(=O)N[CH](CSC[CH](Nc1ccccc1 )C(=O)NCc2cccnc2)Cc3cccc4ccccc34; CC(C)( C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H ](C(=O)NCc3cccnc3)Nc4ccccc4 |
tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate |
| 38332 | QEQ | 6 | C13 H14 N8 O2 | InChI=1S/C13H14N8O2/c22-1 3-10(20-2-1-16-18-20)8-17 -21(13)12-7-11(14-9-15-12 )19-3-5-23-6-4-19/h1-2,7- 9,22H,3-6H2; NTIRTFLRBFAPSX-UHFFFAOYSA-N |
c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4; O c1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4 |
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol; 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol |
| 38333 | QER | 2 | C17 H13 F N2 O | InChI=1S/C17H13FN2O/c18-1 4-6-3-4-12(8-14)9-17(21)2 0-16-11-19-10-13-5-1-2-7- 15(13)16/h1-8,10-11H,9H2, (H,20,21); IMZAGSRTOVZPED-UHFFFAOYSA-N |
Fc1cccc(c1)CC(=O)Nc1cncc2ccccc21; c1ccc2 c(c1)cncc2NC(=O)Cc3cccc(c3)F; Fc1cccc(CC (=O)Nc2cncc3ccccc23)c1 |
2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38334 | QES | 1 | C31 H37 N5 O3 S | InChI=1S/C31H37N5O3S/c1-3 1(2,3)39-30(38)36-25(16-2 3-19-33-27-14-8-7-13-26(2 3)27)20-40-21-28(35-24-11 -5-4-6-12-24)29(37)34-18- 22-10-9-15-32-17-22/h4-15 ,17,19,25,28,33,35H,16,18 ,20-21H2,1-3H3,(H,34,37)( H,36,38)/t25-,28-/m1/s1; YCHZAYWZVPKZNW-LEAFIULHSA-N |
CC(OC(NC(CSCC(C(NCc1cnccc1)=O)Nc2ccccc2) Cc4c3c(cccc3)nc4)=O)(C)C; CC(C)(C)OC(=O) NC(Cc1c[nH]c2c1cccc2)CSCC(C(=O)NCc3cccnc 3)Nc4ccccc4; CC(C)(C)OC(=O)N[CH](CSC[CH] (Nc1ccccc1)C(=O)NCc2cccnc2)Cc3c[nH]c4ccc cc34; CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1c ccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4; CC(C)(C)OC(=O)N[C@@H](CSC[C@@H](Nc1cccc c1)C(=O)NCc2cccnc2)Cc3c[nH]c4ccccc34 |
tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate |
| 38335 | QET | 3 | C24 H23 F6 N O6 S | InChI=1S/C24H23F6NO6S/c1- 38(33,34)17-2-3-20(36-13- 23(26,27)24(28,29)30)18(1 0-17)22(32)31-11-14-8-19( 25)21(9-15(14)12-31)37-16 -4-6-35-7-5-16/h2-3,8-10, 16H,4-7,11-13H2,1H3; FARKUFWPLXRSDR-UHFFFAOYSA-N |
C[S](=O)(=O)c1ccc(OCC(F)(F)C(F)(F)F)c(c1 )C(=O)N2Cc3cc(F)c(OC4CCOCC4)cc3C2; CS(=O )(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)O C4CCOCC4)OCC(C(F)(F)F)(F)F |
[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone |
| 38336 | QEU | 0 | C18 H26 N4 O3 | InChI=1S/C18H26N4O3/c1-24 -16-11-14-15(12-17(16)25- 2)19-13-20-18(14)22-8-6-2 1(7-9-22)5-3-4-10-23/h11- 13,23H,3-10H2,1-2H3; AUJDIJFFUZNFMZ-UHFFFAOYSA-N |
COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1; COc 1cc2c(cc1OC)ncnc2N3CCN(CC3)CCCCO; COc1cc 2ncnc(N3CCN(CCCCO)CC3)c2cc1OC |
4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol |
| 38337 | QEV CHEMBL4595560 |
1 | C31 H30 Cl F N6 O4 | InChI=1S/C31H30ClFN6O4/c1 -17-6-4-8-23(37-30(41)28- 18(2)39(16-35-28)26-9-5-7 -22(32)27(26)33)25-14-19( 12-13-34-25)21-11-10-20(3 6-31(42)43-3)15-24(21)38- 29(17)40/h5,7,9-17,23H,4, 6,8H2,1-3H3,(H,36,42)(H,3 7,41)(H,38,40)/t17-,23+/m 1/s1; REWLFHBRHNXKCO-HXOBKFHXSA-N |
Cc1c(ncn1c2cccc(c2F)Cl)C(=O)NC3CCCC(C(=O )Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C; C2(C(C CCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC( =O)c5c(n(c4c(c(Cl)ccc4)F)cn5)C)C)=O; COC (=O)Nc1ccc2c(NC(=O)[C@H](C)CCC[C@H](NC(= O)c3ncn(c3C)c4cccc(Cl)c4F)c5cc2ccn5)c1; Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C @H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C ; COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N C(=O)c3ncn(c3C)c4cccc(Cl)c4F)c5cc2ccn5)c 1 |
methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate |
| 38338 | QEW | 2 | C20 H16 N4 O3 S | InChI=1S/C20H16N4O3S/c1-2 7-17-9-12-4-5-21-11-14(12 )8-15(17)13-2-3-16-18(10- 13)28-20(23-16)24-19(26)2 2-6-7-25/h2-5,7-11H,6H2,1 H3,(H2,22,23,24,26); BTOGRSOLMDUWDV-UHFFFAOYSA-N |
COc1cc2ccncc2cc1c3ccc4nc(NC(=O)NCC=O)sc4 c3; COc1cc2ccncc2cc1c3ccc4c(c3)sc(n4)NC( =O)NCC=O |
1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea |
| 38339 | QEX | 2 | C18 H16 N2 O | InChI=1S/C18H16N2O/c1-13- 5-4-6-14(9-13)10-18(21)20 -17-12-19-11-15-7-2-3-8-1 6(15)17/h2-9,11-12H,10H2, 1H3,(H,20,21); VGTLCIFBGULFDX-UHFFFAOYSA-N |
Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1; Cc1ccc c(c1)CC(=O)Nc2cncc3c2cccc3; Cc1cccc(c1)C C(=O)Nc1cncc2ccccc21 |
N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide |
| 38340 | QEY CHEMBL4596993 |
1 | C30 H29 Cl F N7 O4 | InChI=1S/C30H29ClFN7O4/c1 -16-5-3-7-22(37-29(41)20- 15-35-39(27(20)33)25-8-4- 6-21(31)26(25)32)24-13-17 (11-12-34-24)19-10-9-18(3 6-30(42)43-2)14-23(19)38- 28(16)40/h4,6,8-16,22H,3, 5,7,33H2,1-2H3,(H,36,42)( H,37,41)(H,38,40)/t16-,22 +/m1/s1; FRTBNFJMPWNSKM-ZHRRBRCNSA-N |
COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCC[C@H](N C(=O)c3cnn(c3N)c4cccc(Cl)c4F)c5cc2ccn5)c 1; COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH]( NC(=O)c3cnn(c3N)c4cccc(Cl)c4F)c5cc2ccn5) c1; C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(c c3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc( c5F)Cl; CC1CCCC(c2cc(ccn2)-c3ccc(cc3NC1= O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl ; C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2) ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)nc5)N)C )=O |
methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate |
| 38341 | QEZ | 2 | C17 H16 Br N O4 S | InChI=1S/C17H16BrNO4S/c18 -13-6-8-16(15(10-13)17(20 )21)19-24(22,23)14-7-5-11 -3-1-2-4-12(11)9-14/h5-10 ,19H,1-4H2,(H,20,21); PCBPZTPLEQENRQ-UHFFFAOYSA-N |
OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCC c3c2; c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O) O)Br)CCCC2 |
5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
| 38342 | QF0 ZINC000002385964 |
0 | C14 H15 N O2 | InChI=1S/C14H15NO2/c15-13 (9-14(16)17)8-10-5-6-11-3 -1-2-4-12(11)7-10/h1-7,13 H,8-9,15H2,(H,16,17)/t13- /m0/s1; WSVMIVFELRCSPA-ZDUSSCGKSA-N |
O=C(O)CC(N)Cc1ccc2ccccc2c1; c1ccc2cc(ccc 2c1)CC(CC(=O)O)N; c1ccc2cc(ccc2c1)C[C@@H ](CC(=O)O)N; N[C@H](CC(O)=O)Cc1ccc2ccccc 2c1; N[CH](CC(O)=O)Cc1ccc2ccccc2c1 |
(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid |
| 38343 | QF1 CHEMBL4645862 |
2 | C15 H17 Br Cl N3 O5 S2 | InChI=1S/C15H17BrClN3O5S2 /c1-26(22,23)15-18-13(8-2 0(15)10-4-2-3-5-10)19-27( 24,25)12-7-9(16)6-11(17)1 4(12)21/h6-8,10,19,21H,2- 5H2,1H3; ZBIVDOJYQHNICX-UHFFFAOYSA-N |
C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc( Cl)c2O)cn1C3CCCC3; CS(=O)(=O)c1nc(cn1C2C CCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br; CS(c2n c(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O )(=O)=O |
5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide |
| 38344 | QF2 ZINC000048286063 |
2 | C17 H19 N3 O5 | InChI=1S/C17H19N3O5/c1-23 -13-4-10(5-14-16(13)25-9- 24-14)7-20(12-2-3-12)8-11 -6-15(21)19-17(22)18-11/h 4-6,12H,2-3,7-9H2,1H3,(H2 ,18,19,21,22); PUMQGUSCXBWFJA-UHFFFAOYSA-N |
COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C 4CC4; COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3 )cc4OCOc14 |
6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| 38345 | QF3 | 4 | C29 H38 N4 O6 S | InChI=1S/C29H38N4O6S/c1-1 6(2)26(25-11-17(3)32-39-2 5)29(36)33-14-21(34)13-23 (33)28(35)31-18(4)22-8-7- 20(27-19(5)30-15-40-27)12 -24(22)38-10-9-37-6/h7-8, 11-12,15-16,18,21,23,26,3 4H,9-10,13-14H2,1-6H3,(H, 31,35)/t18-,21+,23-,26+/m 0/s1; VMVWCWSHAYNZLZ-CVGMMOOQSA-N |
COCCOc1cc(ccc1[CH](C)NC(=O)[CH]2C[CH](O) CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C; Cc1cc(on1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[ C@H]2C(=O)N[C@@H](C)c3ccc(cc3OCCOC)c4c(n cs4)C)O; Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2 C(=O)NC(C)c3ccc(cc3OCCOC)c4c(ncs4)C)O; C OCCOc1cc(ccc1[C@H](C)NC(=O)[C@@H]2C[C@@H ](O)CN2C(=O)[C@H](C(C)C)c3onc(C)c3)c4scn c4C |
(2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38346 | QF4 | 2 | C23 H26 F N5 O4 S | InChI=1S/C23H26FN5O4S/c24 -34(32,29-11-9-19(10-12-2 9)22(26)30)28-20-8-4-7-18 (13-20)14-21(15-25)27-23( 31)33-16-17-5-2-1-3-6-17/ h1-8,13,19,21H,9-12,14,16 H2,(H2,26,30)(H,27,31)/t2 1-,34-/m0/s1; HBDGRYHWGNZLEM-TXRXYBTHSA-N |
NC(=O)C1CCN(CC1)[S](F)(=O)=Nc2cccc(C[CH] (NC(=O)OCc3ccccc3)C#N)c2; N3(S(F)(=Nc2cc cc(CC(C#N)NC(=O)OCc1ccccc1)c2)=O)CCC(CC3 )C(=O)N; c1ccc(cc1)COC(=O)N[C@@H](Cc2ccc c(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N; NC(=O)C1CCN(CC1)[S@@](F)(=O)=Nc2cccc(C[C @H](NC(=O)OCc3ccccc3)C#N)c2; c1ccc(cc1)C OC(=O)NC(Cc2cccc(c2)N=S(=O)(N3CCC(CC3)C( =O)N)F)C#N |
benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate |
| 38347 | QF5 | 2 | C17 H14 N2 O | InChI=1S/C17H14N2O/c20-17 (10-13-6-2-1-3-7-13)19-16 -12-18-11-14-8-4-5-9-15(1 4)16/h1-9,11-12H,10H2,(H, 19,20); IBEFUXAVGLACIF-UHFFFAOYSA-N |
O=C(Cc1ccccc1)Nc2cncc3ccccc23; c1ccc(cc1 )CC(=O)Nc2cncc3c2cccc3; O=C(Cc1ccccc1)Nc 1cncc2ccccc21 |
N-(isoquinolin-4-yl)-2-phenylacetamide |
| 38348 | QF6 ZINC000014987947 |
2 | C10 H10 N2 O | InChI=1S/C10H10N2O/c1-13- 9-4-2-3-7-8(11)5-6-12-10( 7)9/h2-6H,1H3,(H2,11,12); QMBPJEIUEYDRGP-UHFFFAOYSA-N |
COc1cccc2c(N)ccnc12; COc1cccc2c1nccc2N | 8-methoxyquinolin-4-amine |
| 38349 | QF7 CHEMBL5283593 |
4 | C29 H38 F N5 O5 S | InChI=1S/C29H38FN5O5S/c1- 16-23(41-15-32-16)18-8-6- 17(7-9-18)20(13-22(37)31- 5)33-25(38)21-12-19(36)14 -35(21)26(39)24(28(2,3)4) 34-27(40)29(30)10-11-29/h 6-9,15,19-21,24,36H,10-14 H2,1-5H3,(H,31,37)(H,33,3 8)(H,34,40)/t19-,20+,21+, 24-/m1/s1; PTPPMFQIIPBSRV-MDAIXWLXSA-N |
Cc1c(scn1)c2ccc(cc2)C(CC(=O)NC)NC(=O)C3C C(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O; C NC(=O)C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[ CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4 scnc4C; Cc1c(scn1)c2ccc(cc2)[C@H](CC(=O) NC)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C )(C)C)NC(=O)C4(CC4)F)O; CNC(=O)C[C@H](NC (=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(= O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C |
(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38350 | QF8 CHEMBL4753097 |
1 | C22 H26 N10 O | InChI=1S/C22H26N10O/c1-13 -17(26-15-6-8-24-11-15)12 -32(29-13)19-7-9-25-22(28 -19)27-14-4-5-18-16(10-14 )20(21(33)23-2)30-31(18)3 /h4-5,7,9-10,12,15,24,26H ,6,8,11H2,1-3H3,(H,23,33) (H,25,27,28)/t15-/m1/s1; APXVIACNUKLHFZ-OAHLLOKOSA-N |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[C@ @H]5CCNC5)c(C)n4)cc12; Cc1c(cn(n1)c2ccnc (n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5C CNC5; CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4c c(N[CH]5CCNC5)c(C)n4)cc12; Cc1c(cn(n1)c2 ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)NC5CC NC5 |
~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
| 38351 | QF9 | 1 | C18 H12 Cl N3 O | InChI=1S/C18H12ClN3O/c19- 15-6-12(5-13(7-15)9-20)8- 18(23)22-17-11-21-10-14-3 -1-2-4-16(14)17/h1-7,10-1 1H,8H2,(H,22,23); RIBHDGSWGQEONR-UHFFFAOYSA-N |
N#Cc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C#N ; Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)C#N |
2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38352 | QFB CHEMBL4763433 |
1 | C22 H26 N10 O2 | InChI=1S/C22H26N10O2/c1-1 3-27-20(21(33)24-2)18-9-1 4(4-7-31(13)18)29-22-25-6 -3-19(30-22)32-11-15(10-2 6-32)28-17-5-8-34-12-16(1 7)23/h3-4,6-7,9-11,16-17, 28H,5,8,12,23H2,1-2H3,(H, 24,33)(H,25,29,30)/t16-,1 7+/m0/s1; OALOIHPPRINPBM-DLBZAZTESA-N |
Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)NC5 CCOCC5N)C(=O)NC; Cc1nc(c2n1ccc(c2)Nc3ncc c(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O) NC; CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc( N[C@@H]5CCOC[C@@H]5N)cn4)cc12; CNC(=O)c1 nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH ]5N)cn4)cc12 |
7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
| 38353 | QFC CHEMBL4648616 DB17584 |
10 | C32 H30 F N5 O4 | InChI=1S/C32H30FN5O4/c33- 26-16-23(17-34)8-9-27(26) 37-14-12-36(13-15-37)18-2 1-4-6-22(7-5-21)20-42-29- 3-1-2-24-25(29)19-38(32(2 4)41)28-10-11-30(39)35-31 (28)40/h1-9,16,28H,10-15, 18-20H2,(H,35,39,40)/t28- /m0/s1; YTINZZFBHWSAGL-NDEPHWFRSA-N |
Fc1cc(ccc1N2CCN(CC2)Cc3ccc(COc4cccc5C(=O )N(Cc45)[C@H]6CCC(=O)NC6=O)cc3)C#N; c1cc 2c(c(c1)OCc3ccc(cc3)CN4CCN(CC4)c5ccc(cc5 F)C#N)CN(C2=O)C6CCC(=O)NC6=O; O=C1NC(=O) CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c 2ccc(C#N)cc2F)C1=O; Fc1cc(ccc1N2CCN(CC2) Cc3ccc(COc4cccc5C(=O)N(Cc45)[CH]6CCC(=O) NC6=O)cc3)C#N; c1cc2c(c(c1)OCc3ccc(cc3)C N4CCN(CC4)c5ccc(cc5F)C#N)CN(C2=O)[C@H]6C CC(=O)NC6=O |
Mezigdomide |
| 38354 | QFD | 1 | C19 H20 N2 O5 | InChI=1S/C19H20N2O5/c22-1 1-26-15-7-3-13(4-8-15)10- 17-19(25)20-16(18(24)21-1 7)9-12-1-5-14(23)6-2-12/h 1-8,16-17,22-23H,9-11H2,( H,20,25)(H,21,24)/t16-,17 -/m0/s1; XYLVFIWANSQWOX-IRXDYDNUSA-N |
c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3c cc(cc3)OCO)O; OCOc1ccc(C[CH]2NC(=O)[CH]( Cc3ccc(O)cc3)NC2=O)cc1; OCOc1ccc(C[C@@H] 2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1; c3c (ccc(CC1C(NC(C(=O)N1)Cc2ccc(O)cc2)=O)c3) OCO; c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc( cc3)OCO)O |
(3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
| 38355 | QFE CHEMBL4740065 |
1 | C23 H24 N8 O | InChI=1S/C23H24N8O/c1-30- 9-6-15-16(3-2-4-19(15)30) 22-28-21-20(5-8-25-23(21) 29-22)31-12-14(11-26-31)2 7-18-7-10-32-13-17(18)24/ h2-6,8-9,11-12,17-18,27H, 7,10,13,24H2,1H3,(H,25,28 ,29)/t17-,18+/m0/s1; MXZJNQSPLXUEQL-ZWKOTPCHSA-N |
Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[C@@H]6 CCOC[C@@H]6N)cn5)c4n3; Cn1ccc2c1cccc2c3[ nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C @@H]6N; Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn 4)n5cc(cn5)NC6CCOCC6N; Cn1ccc2c1cccc2c3[ nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3 |
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine |
| 38356 | QFF | 2 | C24 H28 N4 O5 S | InChI=1S/C24H28N4O5S/c1-1 3(2)21(20-9-14(3)26-33-20 )24(31)28-11-17(29)10-19( 28)23(30)27-32-18-7-5-16( 6-8-18)22-15(4)25-12-34-2 2/h5-9,12-13,17,19,21,29H ,10-11H2,1-4H3,(H,27,30)/ t17-,19+,21-/m1/s1; JHCAFLBHJQDQTN-SLYNCCJLSA-N |
CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O) NOc2ccc(cc2)c3scnc3C)c4onc(C)c4; Cc1cc(o n1)C(C(C)C)C(=O)N2CC(CC2C(=O)NOc3ccc(cc3 )c4c(ncs4)C)O; CC(C)[CH](C(=O)N1C[CH](O) C[CH]1C(=O)NOc2ccc(cc2)c3scnc3C)c4onc(C) c4; Cc1cc(on1)[C@@H](C(C)C)C(=O)N2C[C@@H ](C[C@H]2C(=O)NOc3ccc(cc3)c4c(ncs4)C)O |
(2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38357 | QFG | 0 | C16 H16 N4 O4 | InChI=1S/C16H16N4O4/c17-1 1(6-7-13(18)21)15-19-12(8 -10-4-2-1-3-5-10)16(24)20 (15)9-14(22)23/h1-5,8,17H ,6-7,9H2,(H2,18,21)(H,22, 23)/b12-8+,17-11+; IGVCVMFOYFLVPY-INQCZNILSA-N |
[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C (=O)N1CC(=O)O; NC(=O)CCC(=N)C1=NC(=Cc2cc ccc2)C(=O)N1CC(O)=O; c1ccc(cc1)C=C2C(=O) N(C(=N2)C(=N)CCC(=O)N)CC(=O)O; O=C1C(\N= C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc 2; NC(=O)CCC(=N)C1=NC(=C/c2ccccc2)/C(=O) N1CC(O)=O |
{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; CHROMOPHORE (GLN-PHE-GLY) |
| 38358 | QFH ZINC000001731109 |
1 | C5 H10 O4 | InChI=1S/C5H10O4/c1-3(6)5 (2,9)4(7)8/h3,6,9H,1-2H3, (H,7,8)/t3-,5-/m0/s1; AOWPAWLEXIYETE-UCORVYFPSA-N |
C[C@@H]([C@@](C)(C(=O)O)O)O; C[C@H](O)[C @](C)(O)C(O)=O; CC(C(C)(C(=O)O)O)O; O=C( O)C(O)(C)C(O)C; C[CH](O)[C](C)(O)C(O)=O |
(2S,3S)-2,3-dihydroxy-2-methylbutanoic acid |
| 38359 | QFI CHEMBL1235561 ZINC000024854015 |
2 | C29 H41 N2 O12 P S | InChI=1S/C29H41N2O12PS/c1 -19(2)15-31(45(37,38)23-1 0-8-21(39-3)9-11-23)16-26 (32)25(14-20-4-6-22(7-5-2 0)42-18-44(34,35)36)30-29 (33)43-27-17-41-28-24(27) 12-13-40-28/h4-11,19,24-2 8,32H,12-18H2,1-3H3,(H,30 ,33)(H2,34,35,36)/t24-,25 -,26+,27-,28+/m0/s1; VGMTVMSJTCIQMF-AJIIGFCHSA-N |
COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O) [CH](Cc2ccc(OC[P](O)(O)=O)cc2)NC(=O)O[CH ]3CO[CH]4OCC[CH]34; O=S(=O)(c1ccc(OC)cc1 )N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4 ccc(OCP(=O)(O)O)cc4; COc1ccc(cc1)[S](=O) (=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(OC[P ](O)(O)=O)cc2)NC(=O)O[C@H]3CO[C@H]4OCC[C @@H]34; CC(C)CN(CC(C(Cc1ccc(cc1)OCP(=O)( O)O)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc (cc4)OC; CC(C)C[N@@](C[C@H]([C@H](Cc1ccc (cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[ C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC |
({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID |
| 38360 | QFJ ZINC000001627126 |
1 | C8 H18 N O S | InChI=1S/C8H18NOS/c1-5-8( 10)11-7-6-9(2,3)4/h5-7H2, 1-4H3/q+1; ILWCNQXVCCMVCY-UHFFFAOYSA-N |
C[N+](C)(C)CCSC(CC)=O; CCC(=O)SCC[N+](C) (C)C |
propionylthiocholine; N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium |
| 38361 | QFK CHEMBL4800498 |
1 | C20 H23 N9 O | InChI=1S/C20H23N9O/c1-13- 24-18(19(30)21-2)16-9-15( 6-8-28(13)16)25-20-22-7-5 -17(26-20)29-12-14(10-23- 29)11-27(3)4/h5-10,12H,11 H2,1-4H3,(H,21,30)(H,22,2 5,26); PLXRPQJOIKHDDA-UHFFFAOYSA-N |
Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN( C)C)C(=O)NC; CNC(=O)c1nc(C)n2ccc(Nc3nccc (n3)n4cc(CN(C)C)cn4)cc12 |
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
| 38362 | QFL | 2 | C17 H13 F N2 O | InChI=1S/C17H13FN2O/c18-1 4-7-5-12(6-8-14)9-17(21)2 0-16-11-19-10-13-3-1-2-4- 15(13)16/h1-8,10-11H,9H2, (H,20,21); XYWOJIRBYMBSKX-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)F; Fc1c cc(CC(=O)Nc2cncc3ccccc23)cc1; Fc1ccc(cc1 )CC(=O)Nc1cncc2ccccc21 |
2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38363 | QFM CHEMBL1621172 ZINC000004323597 |
1 | C10 H11 Cl N2 S | InChI=1S/C10H11ClN2S/c11- 9-4-2-1-3-8(9)7-14-10-12- 5-6-13-10/h1-4H,5-7H2,(H, 12,13); MRKZZXDCOQKXGF-UHFFFAOYSA-N |
C1N=C(NC1)SCc2ccccc2Cl; c1ccc(c(c1)CSC2= NCCN2)Cl; Clc1ccccc1CSC2=NCCN2 |
2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole; 2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole |
| 38364 | QFN CHEMBL3650899 ZINC000220220625 |
1 | C22 H21 Cl N4 O2 | InChI=1S/C22H21ClN4O2/c1- 12-10-17(11-25(3)21(12)28 )26-19(14-4-6-15(23)7-5-1 4)18-13(2)24-27(16-8-9-16 )20(18)22(26)29/h4-7,10-1 1,16,19H,8-9H2,1-3H3/t19- /m1/s1; PXGREUPWZAUELV-LJQANCHMSA-N |
Cc1c2c(n(n1)C3CC3)C(=O)N(C2c4ccc(cc4)Cl) C5=CN(C(=O)C(=C5)C)C; CN1C=C(C=C(C)C1=O) N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2= O; CN1C=C(C=C(C)C1=O)N2[C@H](c3ccc(Cl)cc 3)c4c(C)nn(C5CC5)c4C2=O; Cc1c2c(n(n1)C3C C3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O )C(=C5)C)C |
(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one |
| 38365 | QFO CHEMBL5173517 |
2 | C26 H34 F N7 O3 S | InChI=1S/C26H34FN7O3S/c1- 16(2)19-10-30-24(34-12-17 (13-34)14-38(4,36)37)20-1 1-29-23(9-18(19)20)31-22- 5-7-28-25(32-22)33-8-6-21 (35)26(3,27)15-33/h5,7,9- 11,16-17,21,35H,6,8,12-15 H2,1-4H3,(H,28,29,31,32)/ t21-,26+/m1/s1; KBRHRZPPQDIMOA-RLWLMLJZSA-N |
CC(C)c1cnc(c2c1cc(nc2)Nc3ccnc(n3)N4CCC(C (C4)(C)F)O)N5CC(C5)CS(=O)(=O)C; CS(=O)(= O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc( ncc1)N1CCC(O)C(C)(F)C1; CC(C)c1cnc(c2c1c c(nc2)Nc3ccnc(n3)N4CC[C@H]([C@@](C4)(C)F )O)N5CC(C5)CS(=O)(=O)C; CC(C)c1cnc(N2CC( C2)C[S](C)(=O)=O)c3cnc(Nc4ccnc(n4)N5CC[C H](O)[C](C)(F)C5)cc13; CC(C)c1cnc(N2CC(C 2)C[S](C)(=O)=O)c3cnc(Nc4ccnc(n4)N5CC[C@ @H](O)[C@@](C)(F)C5)cc13 |
(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol |
| 38366 | QFP | 2 | C8 H11 B O3 | InChI=1S/C8H11BO3/c10-6-7 -12-9(11)8-4-2-1-3-5-8/h1 -5,10-11H,6-7H2; MCBDCMMJWCRCFZ-UHFFFAOYSA-N |
OCCOB(O)c1ccccc1; B(c1ccccc1)(O)OCCO; c1 ccccc1B(OCCO)O |
2-hydroxyethyl hydrogen phenylboronate |
| 38367 | QFQ CHEMBL4760325 |
1 | C23 H28 N10 O | InChI=1S/C23H28N10O/c1-14 -18(27-16-5-4-9-25-12-16) 13-33(30-14)20-8-10-26-23 (29-20)28-15-6-7-19-17(11 -15)21(22(34)24-2)31-32(1 9)3/h6-8,10-11,13,16,25,2 7H,4-5,9,12H2,1-3H3,(H,24 ,34)(H,26,28,29)/t16-/m1/ s1; CGMCYALTKDQISD-MRXNPFEDSA-N |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[C@ @H]5CCCNC5)c(C)n4)cc12; CNC(=O)c1nn(C)c2 ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4) cc12; Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c (nn4C)C(=O)NC)N[C@@H]5CCCNC5; Cc1c(cn(n1 )c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)NC 5CCCNC5 |
~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
| 38368 | QFR | 4 | C26 H31 N5 O4 S | InChI=1S/C26H31N5O4S/c1-1 4(2)22(21-10-15(3)29-34-2 1)25(33)31-12-19(32)11-20 (31)24-28-26(5,35-30-24)1 8-8-6-17(7-9-18)23-16(4)2 7-13-36-23/h6-10,13-14,19 -20,22,32H,11-12H2,1-5H3, (H,28,30)/t19-,20+,22-,26 -/m1/s1; SJWOQSNEWHFLAZ-RVNGOIKDSA-N |
CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C2=NO [C@@](C)(N2)c3ccc(cc3)c4scnc4C)c5onc(C)c 5; CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C2=NO[ C](C)(N2)c3ccc(cc3)c4scnc4C)c5onc(C)c5; Cc1cc(on1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[ C@H]2C3=NO[C@](N3)(C)c4ccc(cc4)c5c(ncs5) C)O; Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C3=N OC(N3)(C)c4ccc(cc4)c5c(ncs5)C)O |
(2~{R})-3-methyl-1-[(2~{S},4~{R})-2-[(5~{R})-5-methyl-5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-4~{H}-1,2,4-oxadiazol-3-yl]-4-oxidanyl-pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one |
| 38369 | QFS | 1 | C9 H13 B O4 | InChI=1S/C9H13BO4/c1-13-9 -4-2-3-8(7-9)10(12)14-6-5 -11/h2-4,7,11-12H,5-6H2,1 H3; ZOVRPEMVSXQSPK-UHFFFAOYSA-N |
B(c1cccc(c1)OC)(O)OCCO; c1ccc(cc1B(OCCO) O)OC; COc1cccc(c1)B(O)OCCO |
2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate |
| 38370 | QFT ZINC000014007835 |
2 | C6 H4 F N O3 | InChI=1S/C6H4FNO3/c7-5-2- 1-4(8(10)11)3-6(5)9/h1-3, 9H; WFRLFZAMCVAQLN-UHFFFAOYSA-N |
Oc1cc(ccc1F)[N](=O)=O; c1cc(c(cc1N(=O)=O )O)F |
2-fluoranyl-5-nitro-phenol |
| 38371 | QFU | 1 | C18 H13 N3 O | InChI=1S/C18H13N3O/c19-10 -14-5-3-4-13(8-14)9-18(22 )21-17-12-20-11-15-6-1-2- 7-16(15)17/h1-8,11-12H,9H 2,(H,21,22); BVFDAXUESDGGQS-UHFFFAOYSA-N |
N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21; O=C( Cc1cccc(c1)C#N)Nc2cncc3ccccc23; c1ccc2c( c1)cncc2NC(=O)Cc3cccc(c3)C#N |
2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38372 | QFV CHEMBL3356009 ZINC000261508838 |
2 | C31 H29 Cl N6 O3 S | InChI=1S/C31H29ClN6O3S/c1 -20-13-14-22-23(8-4-11-27 (22)38-42(39,40)28-12-3-2 -10-25(28)32)29(20)41-30- 24(9-6-17-34-30)26-15-18- 35-31(37-26)36-21-7-5-16- 33-19-21/h2-4,6,8-15,17-1 8,21,33,38H,5,7,16,19H2,1 H3,(H,35,36,37)/t21-/m0/s 1; XMWUCMFVDXDRDE-NRFANRHFSA-N |
Cc1ccc2c(N[S](=O)(=O)c3ccccc3Cl)cccc2c1O c4ncccc4c5ccnc(N[CH]6CCCNC6)n5; c6c1c(cc cc1NS(c2c(cccc2)Cl)(=O)=O)c(Oc3c(cccn3)c 4ccnc(n4)NC5CCCNC5)c(C)c6; Cc1ccc2c(N[S] (=O)(=O)c3ccccc3Cl)cccc2c1Oc4ncccc4c5ccn c(N[C@H]6CCCNC6)n5; Cc1ccc2c(c1Oc3c(cccn 3)c4ccnc(n4)NC5CCCNC5)cccc2NS(=O)(=O)c6c cccc6Cl; Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4 )N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl |
2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide |
| 38373 | QFW ZINC000011613982 |
2 | C20 H19 N O5 S | InChI=1S/C20H19NO5S/c1-2- 11-26-18-9-5-16-13-19(10- 6-15(16)12-18)27(24,25)21 -17-7-3-14(4-8-17)20(22)2 3/h3-10,12-13,21H,2,11H2, 1H3,(H,22,23); CXGJVZAHQVOLAT-UHFFFAOYSA-N |
CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc 3)C(O)=O; CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N c3ccc(cc3)C(=O)O |
4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid; 4-{[(6-propoxy-2-naphtyl)sulfonyl]amino}benzoic acid |
| 38374 | QFX | 1 | C17 H11 Cl N4 O | InChI=1S/C17H11ClN4O/c18- 17-20-19-15-10-11-16(21-2 2(15)17)23-14-9-5-4-8-13( 14)12-6-2-1-3-7-12/h1-11H; XWHTYUYQMHCFMT-UHFFFAOYSA-N |
c1ccc(cc1)c2ccccc2Oc3ccc4nnc(n4n3)Cl; Cl c1nnc2ccc(nn12)Oc1ccccc1c1ccccc1; Clc1nn c2ccc(Oc3ccccc3c4ccccc4)nn12 |
(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine |
| 38375 | QFY | 2 | C24 H32 Fe N6 O2 S | InChI=1S/C24H32N6O2S.Fe/c 31-22(10-2-1-9-21-23-20(1 7-33-21)28-24(32)29-23)27 -13-14-30(15-18-7-3-5-11- 25-18)16-19-8-4-6-12-26-1 9;/h3-8,11-12,20-21,23H,1 -2,9-10,13-17H2,(H,27,31) (H2,28,29,32);/q;+3/t20-, 21-,23-;/m0./s1; WAWFAHHVBQXZAY-XCZLHMEYSA-N |
c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3) CCNC(=O)CCCCC5C6C(CS5)NC(=O)N6; c1cc[n+] 2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O) CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6; O=C (CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3Cc4c ccc[n+]4[Fe][n+]5ccccc5C3; O=C(CCCC[C@@H ]1SC[C@@H]2NC(=O)N[C@H]12)NCCN3Cc4cccc[n +]4[Fe][n+]5ccccc5C3; C12NC(=O)NC1CSC2CC CCC(NCC[N+]43Cc6[n+]([Fe]3[n+]5c(C4)cccc 5)cccc6)=O |
{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) |
| 38376 | QFZ ZINC000001583742 |
1 | C6 H F5 O | InChI=1S/C6HF5O/c7-1-2(8) 4(10)6(12)5(11)3(1)9/h12H; XBNGYFFABRKICK-UHFFFAOYSA-N |
Oc1c(F)c(F)c(F)c(F)c1F; c1(c(c(c(c(c1F)F )F)F)F)O |
2,3,4,5,6-pentakis(fluoranyl)phenol |
| 38377 | QG0 ZINC000006519966 |
1 | C11 H13 Cl N4 S | InChI=1S/C11H13ClN4S/c1-2 -16-10(14-15-11(16)17)7-1 3-9-6-4-3-5-8(9)12/h3-6,1 3H,2,7H2,1H3,(H,15,17); TWWWWNNKPGGRSE-UHFFFAOYSA-N |
Sc1nnc(CNc2ccccc2Cl)n1CC; CCn1c(S)nnc1CN c2ccccc2Cl; CCn1c(nnc1S)CNc2ccccc2Cl |
5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol |
| 38378 | QG1 | 1 | C24 H32 Fe N6 O2 S | InChI=1S/C24H32N6O2S.Fe/c 31-22(10-2-1-9-21-23-20(1 7-33-21)28-24(32)29-23)27 -13-14-30(15-18-7-3-5-11- 25-18)16-19-8-4-6-12-26-1 9;/h3-8,11-12,20-21,23H,1 -2,9-10,13-17H2,(H,27,31) (H2,28,29,32);/q;+2/t20-, 21-,23-;/m0./s1; JVSBDQWKOIBQHU-XCZLHMEYSA-N |
[Fe][n+]1ccccc1CN(CCNC(=O)CCCC[CH]2SC[CH ]3NC(=O)N[CH]23)Cc4ccccn4; c1ccnc(c1)C[N +]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4 [C@@H]5[C@H](CS4)NC(=O)N5; [Fe][n+]1cccc c1CN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N [C@H]23)Cc4ccccn4; C12NC(=O)NC1CSC2CCCCC (NCC[N+]5(Cc3ncccc3)Cc4cccc[n+]4[Fe]5)=O ; c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCN C(=O)CCCCC4C5C(CS4)NC(=O)N5 |
{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) |
| 38379 | QG2 | 2 | C22 H27 N O19 S2 | InChI=1S/C22H27NO19S2/c1- 7-4-12(24)39-10-5-8(2-3-9 (7)10)38-22-17(28)16(27)1 8(19(42-22)20(29)30)41-21 -13(23-43(31,32)33)15(26) 14(25)11(40-21)6-37-44(34 ,35)36/h2-5,11,13-19,21-2 3,25-28H,6H2,1H3,(H,29,30 )(H,31,32,33)(H,34,35,36) /t11-,13-,14-,15-,16-,17- ,18+,19+,21-,22-/m1/s1; VWVHHIREMFENNG-XOAMEYKJSA-N |
CC1=CC(=O)Oc2cc(O[C@@H]3O[C@@H]([C@@H](O [C@H]4O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@ H](O)[C@H]4N[S](O)(=O)=O)[C@H](O)[C@H]3O )C(O)=O)ccc12; CC1=CC(=O)Oc2c1ccc(c2)OC3 C(C(C(C(O3)C(=O)O)OC4C(C(C(C(O4)COS(=O)( =O)O)O)O)NS(=O)(=O)O)O)O; CC1=CC(=O)Oc2c c(O[CH]3O[CH]([CH](O[CH]4O[CH](CO[S](O)( =O)=O)[CH](O)[CH](O)[CH]4N[S](O)(=O)=O)[ CH](O)[CH]3O)C(O)=O)ccc12; CC1=CC(=O)Oc2 c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H ](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]( [C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O) O |
(2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
| 38380 | QG3 | 2 | C17 H12 F2 N2 O | InChI=1S/C17H12F2N2O/c18- 13-5-11(6-14(19)8-13)7-17 (22)21-16-10-20-9-12-3-1- 2-4-15(12)16/h1-6,8-10H,7 H2,(H,21,22); RXQWWUHGRJKJHB-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)F)F; F c1cc(F)cc(CC(=O)Nc2cncc3ccccc23)c1; Fc1c c(cc(F)c1)CC(=O)Nc1cncc2ccccc21 |
2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| 38381 | QG4 | 1 | C24 H33 Fe N9 O2 S | InChI=1S/C24H32N6O2S.Fe.H N3/c31-22(10-2-1-9-21-23- 20(17-33-21)28-24(32)29-2 3)27-13-14-30(15-18-7-3-5 -11-25-18)16-19-8-4-6-12- 26-19;;1-3-2/h3-8,11-12,2 0-21,23H,1-2,9-10,13-17H2 ,(H,27,31)(H2,28,29,32);; 1H/q;+4;/t20-,21-,23-;;/m 0../s1; NPUCPLAKXVBABZ-VPTGAVHVSA-N |
N=[N+]=N[Fe]1[n+]2ccccc2CN(CCNC(=O)CCCC[ C@@H]3SC[C@@H]4NC(=O)N[C@H]34)Cc5cccc[n+ ]15; O=C1NC2C(N1)C(SC2)CCCCC(NCC[N+]43Cc 6[n+]([Fe]3([n+]5c(C4)cccc5)\N=[N+]=N)cc cc6)=O; N=[N+]=N[Fe]1[n+]2ccccc2CN(CCNC( =O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)Cc5cccc [n+]15; c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4 ccccc4C3)N=[N+]=N)CCNC(=O)CCCCC5C6C(CS5) NC(=O)N6; c1cc[n+]2c(c1)C[N+]3([Fe]2([n+ ]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C @@H]6[C@H](CS5)NC(=O)N6 |
{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) |
| 38382 | QG5 CHEMBL3321809 ZINC000299834742 |
2 | C18 H15 N5 O2 | InChI=1S/C18H15N5O2/c1-9- 6-7-10(24)8-13(9)23-16(19 )14(17(20)25)15-18(23)22- 12-5-3-2-4-11(12)21-15/h2 -8,24H,19H2,1H3,(H2,20,25 ); ZHMCGBRGDVCXLS-UHFFFAOYSA-N |
Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N )O; NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)c cc1C; Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4cc ccc4nc23 |
(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
| 38383 | QG6 | 1 | C16 H28 O4 | InChI=1S/C16H28O4/c1-3-7- 12(2)8-6-11-20-16(19)14-1 0-5-4-9-13(14)15(17)18/h1 2-14H,3-11H2,1-2H3,(H,17, 18)/t12-,13+,14-/m1/s1; LIIPZKBBDLBJSA-HZSPNIEDSA-N |
CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C (=O)O; CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[ C@@H]1C(O)=O; CCC[CH](C)CCCOC(=O)[CH]1CC CC[CH]1C(O)=O; CCCC(C)CCCOC(=O)C1CCCCC1C (=O)O |
(1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid; MINCH |
| 38384 | QG7 | 6 | C24 H32 N6 O2 S | InChI=1S/C24H32N6O2S/c31- 22(10-2-1-9-21-23-20(17-3 3-21)28-24(32)29-23)27-13 -14-30(15-18-7-3-5-11-25- 18)16-19-8-4-6-12-26-19/h 3-8,11-12,20-21,23H,1-2,9 -10,13-17H2,(H,27,31)(H2, 28,29,32)/t20-,21-,23-/m0 /s1; GXLJCVSDSFWSLD-FUDKSRODSA-N |
c1ccnc(c1)CN(CCNC(=O)CCCCC2C3C(CS2)NC(=O )N3)Cc4ccccn4; O=C(CCCC[C@@H]1SC[C@@H]2N C(=O)N[C@H]12)NCCN(Cc3ccccn3)Cc4ccccn4; O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(C c3ccccn3)Cc4ccccn4; c1ccnc(c1)CN(CCNC(=O )CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4 ccccn4; C12C(NC(=O)N1)CSC2CCCCC(NCCN(Cc3 ncccc3)Cc4ccccn4)=O |
N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| 38385 | QG8 CHEMBL2031099 ZINC000084758148 |
2 | C44 H52 N4 O6 | InChI=1S/C44H52N4O6/c1-43 (2,3)39(45-42(53)54-4)40( 51)46-47(28-31-20-22-33(2 3-21-31)32-16-9-6-10-17-3 2)25-13-24-44(27-30-14-7- 5-8-15-30)37(50)29-48(41( 44)52)38-35-19-12-11-18-3 4(35)26-36(38)49/h5-12,14 -23,36-39,49-50H,13,24-29 H2,1-4H3,(H,45,53)(H,46,5 1)/t36-,37-,38+,39-,44+/m 1/s1; YNPGDSJLNVNNFA-MIYQMFTLSA-N |
CC(C)(C)C(C(=O)NN(CCCC1(C(CN(C1=O)C2c3cc ccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6 )NC(=O)OC; COC(=O)N[C@H](C(=O)NN(CCC[C@] 1(Cc2ccccc2)[C@H](O)CN([C@@H]3[C@H](O)Cc 4ccccc34)C1=O)Cc5ccc(cc5)c6ccccc6)C(C)(C )C; O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccccc1)cc 2)CCCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6 ccccc6)C(C)(C)C; COC(=O)N[CH](C(=O)NN(CC C[C]1(Cc2ccccc2)[CH](O)CN([CH]3[CH](O)Cc 4ccccc34)C1=O)Cc5ccc(cc5)c6ccccc6)C(C)(C )C; CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@ @H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4 ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC |
METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE |
| 38386 | QG9 CHEMBL2031101 ZINC000084669157 |
2 | C43 H51 N5 O6 | InChI=1S/C43H51N5O6/c1-42 (2,3)38(45-41(53)54-4)39( 51)46-47(27-30-15-17-31(1 8-16-30)32-19-22-44-23-20 -32)24-10-21-43(26-29-11- 6-5-7-12-29)36(50)28-48(4 0(43)52)37-34-14-9-8-13-3 3(34)25-35(37)49/h5-9,11- 20,22-23,35-38,49-50H,10, 21,24-28H2,1-4H3,(H,45,53 )(H,46,51)/t35-,36-,37+,3 8-,43+/m1/s1; ZKMZXBMNTSRUBW-NPHQGNLKSA-N |
CC(C)(C)C(C(=O)NN(CCCC1(C(CN(C1=O)C2c3cc ccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6 )NC(=O)OC; COC(=O)N[C@H](C(=O)NN(CCC[C@] 1(Cc2ccccc2)[C@H](O)CN([C@@H]3[C@H](O)Cc 4ccccc34)C1=O)Cc5ccc(cc5)c6ccncc6)C(C)(C )C; O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc 2)CCCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6 ccccc6)C(C)(C)C; COC(=O)N[CH](C(=O)NN(CC C[C]1(Cc2ccccc2)[CH](O)CN([CH]3[CH](O)Cc 4ccccc34)C1=O)Cc5ccc(cc5)c6ccncc6)C(C)(C )C; CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@ @H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4 ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC |
METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE |
| 38387 | QGA ZINC000016052245 |
1 | C17 H33 N O7 | InChI=1S/C17H33NO7/c19-9- 8-18(10-13(21)16(24)17(25 )14(22)11-20)15(23)7-6-12 -4-2-1-3-5-12/h12-14,16-1 7,19-22,24-25H,1-11H2/t13 -,14+,16-,17+/m0/s1; AHJZPLOICPCLQM-HDEZJCGLSA-N |
C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C @@H]([C@@H](CO)O)O)O)O; O=C(N(CC(O)C(O)C (O)C(O)CO)CCO)CCC1CCCCC1; OCCN(C[CH](O)[ CH](O)[CH](O)[CH](O)CO)C(=O)CCC1CCCCC1; C1CCC(CC1)CCC(=O)N(CCO)CC(C(C(C(CO)O)O)O )O; OCCN(C[C@H](O)[C@H](O)[C@H](O)[C@H]( O)CO)C(=O)CCC1CCCCC1 |
1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-1-DEOXY-D-ALLITOL |
| 38388 | QGB CHEMBL4788866 DB18065 |
6 | C19 H27 Cl N6 O | InChI=1S/C19H27ClN6O/c1-1 3-11-26(17(12-27-13)10-14 -2-4-15(20)5-3-14)16-6-8- 25(9-7-16)19-22-18(21)23- 24-19/h2-5,13,16-17H,6-12 H2,1H3,(H3,21,22,23,24)/t 13-,17-/m0/s1; STWVLEKJQQRGMO-GUYCJALGSA-N |
C[C@H]1CN(C2CCN(CC2)c3[nH]nc(N)n3)[C@H]( CO1)Cc4ccc(Cl)cc4; CC1CN(C(CO1)Cc2ccc(cc 2)Cl)C3CCN(CC3)c4[nH]nc(n4)N; C[CH]1CN(C 2CCN(CC2)c3[nH]nc(N)n3)[CH](CO1)Cc4ccc(C l)cc4; C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl )C3CCN(CC3)c4[nH]nc(n4)N |
5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine; 5-[4-[(2~{S},5~{S})-5-[(4-chlorophenyl)methyl]-2-methyl-morpholin-4-yl]piperidin-1-yl]-1~{H}-1,2,4-triazol-3-amine |
| 38389 | QGC | 2 | C22 H19 Cl N6 O | InChI=1S/C22H19ClN6O/c23- 15-5-6-20-18(9-15)17(7-8- 29(20)12-21-25-13-26-28-2 1)22(30)27-19-11-24-10-14 -3-1-2-4-16(14)19/h1-6,9- 11,13,17H,7-8,12H2,(H,27, 30)(H,25,26,28)/t17-/m1/s 1; OGUUARWRDDBIAJ-QGZVFWFLSA-N |
Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1c ncc2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@H ]3CCN(c4c3cc(cc4)Cl)Cc5[nH]cnn5; c1ccc2c (c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[n H]cnn5; Clc1ccc2N(CC[C@@H](C(=O)Nc3cncc4 ccccc34)c2c1)Cc5[nH]cnn5; Clc1ccc2N(CC[C H](C(=O)Nc3cncc4ccccc34)c2c1)Cc5[nH]cnn5 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38390 | QGD ZINC000169629057 |
0 | C40 H80 N O9 P | InChI=1S/C40H80NO9P/c1-3- 5-7-9-11-13-15-16-17-18-1 9-20-21-23-25-27-29-31-33 -47-34-37(35-48-51(45,46) 49-36-38(41)40(43)44)50-3 9(42)32-30-28-26-24-22-14 -12-10-8-6-4-2/h37-38H,3- 36,41H2,1-2H3,(H,43,44)(H ,45,46)/t37-,38+/m1/s1; FQGGGDDJZMNTTN-AMAPPZPBSA-N |
C(O)(C(COP(OCC(COCCCCCCCCCCCCCCCCCCCC)OC (=O)CCCCCCCCCCCCC)(=O)O)N)=O; CCCCCCCCCC CCCCCCCCCCOC[C@H](CO[P](O)(=O)OC[C@H](N) C(O)=O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCC CCCCCCCCOCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O )CCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCOC[C @H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCOC[CH]( CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCC CCCCCCC |
O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine |
| 38391 | QGE CHEMBL2030687 ZINC000000178273 |
1 | C18 H17 N O4 S | InChI=1S/C18H17NO4S/c1-4- 5-12-6-13-16(7-15(12)23-1 1(3)20)22-8-14(17(13)21)1 8-19-10(2)9-24-18/h6-9H,4 -5H2,1-3H3; FVMKJEVPLWCLMC-UHFFFAOYSA-N |
CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n 3; CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(c s3)C |
[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
| 38392 | QGF CHEMBL1615186 ZINC000064744198 |
2 | C23 H29 Cl2 F N4 O5 S | InChI=1S/C23H29Cl2FN4O5S/ c1-16(22-27-11-19(26)12-2 8-22)10-23(2,30(32)15-31) 14-36(33,34)29-7-5-20(6-8 -29)35-13-17-3-4-18(24)9- 21(17)25/h3-4,9,11-12,15- 16,20,32H,5-8,10,13-14H2, 1-2H3/t16-,23-/m0/s1; YSYXAGMNRKARQB-HJPURHCSSA-N |
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OC c2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F; CC(C C(C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)C l)N(C=O)O)c3ncc(cn3)F; O=S(=O)(N2CCC(OCc 1ccc(Cl)cc1Cl)CC2)CC(N(O)C=O)(C)CC(c3ncc (F)cn3)C; C[CH](C[C](C)(C[S](=O)(=O)N1CC [CH](CC1)OCc2ccc(Cl)cc2Cl)N(O)C=O)c3ncc( F)cn3; C[C@@H](C[C@@](C)(C[S](=O)(=O)N1C C[C@@H](CC1)OCc2ccc(Cl)cc2Cl)N(O)C=O)c3n cc(F)cn3 |
N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide |
| 38393 | QGG CHEMBL227990 ZINC000003972703 |
7 | C15 H16 Cl N5 O4 S | InChI=1S/C15H16ClN5O4S/c1 6-11-7-19-13(20-15(17)18) 10-6-8(3-4-9(10)11)26(24, 25)21-5-1-2-12(21)14(22)2 3/h3-4,6-7,12H,1-2,5H2,(H ,22,23)(H4,17,18,19,20)/t 12-/m1/s1; MWEYSFQTTAFUFL-GFCCVEGCSA-N |
c1cc2c(cc1S(=O)(=O)N3CCCC3C(=O)O)c(ncc2C l)N=C(N)N; c1cc2c(cc1S(=O)(=O)N3CCC[C@@H ]3C(=O)O)c(ncc2Cl)N=C(N)N; O=C(O)C3N(S(= O)(=O)c2cc1c(/N=C(\N)N)ncc(Cl)c1cc2)CCC3 ; NC(N)=Nc1ncc(Cl)c2ccc(cc12)[S](=O)(=O) N3CCC[CH]3C(O)=O; NC(N)=Nc1ncc(Cl)c2ccc( cc12)[S](=O)(=O)N3CCC[C@@H]3C(O)=O |
1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE |
| 38394 | QGH ZINC000019735187 |
1 | C12 H14 N2 | InChI=1S/C12H14N2/c1-8-12 -10(6-7-13-8)9-4-2-3-5-11 (9)14-12/h2-5,8,13-14H,6- 7H2,1H3/t8-/m1/s1; LPIJOZBIVDCQTE-MRVPVSSYSA-N |
C[C@H]1NCCc2c1[nH]c3ccccc23; CC1c2c(c3cc ccc3[nH]2)CCN1; C[C@@H]1c2c(c3ccccc3[nH] 2)CCN1; C[CH]1NCCc2c1[nH]c3ccccc23 |
(1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| 38395 | QGI CHEMBL5199076 DB19241 |
2 | C18 H20 N4 O2 | InChI=1S/C18H20N4O2/c1-8- 5-6-13(23)10(3)15(8)22-16 (19)14(17(20)24)12-7-9(2) 11(4)21-18(12)22/h5-7,23H ,19H2,1-4H3,(H2,20,24); ARBRHWRTXPWZGN-UHFFFAOYSA-N |
NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O) c1C; Cc1cc2c(nc1C)n(c(N)c2C(N)=O)c3c(C)c cc(O)c3C; Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C )C)C(=O)N)N)C)O |
(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| 38396 | QGJ | 0 | C19 H24 N3 O9 P | InChI=1S/C19H24N3O9P/c23- 14-9-16(31-15(14)11-30-32 (27,28)29)22-10-13(18(25) 21-19(22)26)17(24)20-8-4- 7-12-5-2-1-3-6-12/h1-3,5- 6,10,14-16,23H,4,7-9,11H2 ,(H,20,24)(H,21,25,26)(H2 ,27,28,29)/t14-,15-,16-/m 1/s1; HDAALGCFEARBOF-BZUAXINKSA-N |
C1(CC(C(COP(=O)(O)O)O1)O)N2C(=O)NC(C(=C2 )C(NCCCc3ccccc3)=O)=O; O[CH]1C[CH](O[CH] 1CO[P](O)(O)=O)N2C=C(C(=O)NCCCc3ccccc3)C (=O)NC2=O; c1ccc(cc1)CCCNC(=O)C2=CN(C(=O )NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O )O; c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O) C3CC(C(O3)COP(=O)(O)O)O; O[C@@H]1C[C@@H] (O[C@@H]1CO[P](O)(O)=O)N2C=C(C(=O)NCCCc3 ccccc3)C(=O)NC2=O |
1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| 38397 | QGK ZINC000019735186 |
1 | C12 H14 N2 | InChI=1S/C12H14N2/c1-8-12 -10(6-7-13-8)9-4-2-3-5-11 (9)14-12/h2-5,8,13-14H,6- 7H2,1H3/t8-/m0/s1; LPIJOZBIVDCQTE-QMMMGPOBSA-N |
C[C@H]1c2c(c3ccccc3[nH]2)CCN1; C[C@@H]1N CCc2c1[nH]c3ccccc23; CC1c2c(c3ccccc3[nH] 2)CCN1; C[CH]1NCCc2c1[nH]c3ccccc23 |
(1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| 38398 | QGL ZINC000001529634 |
4 | C16 H22 O4 | InChI=1S/C16H22O4/c1-3-5- 8-12(4-2)11-20-16(19)14-1 0-7-6-9-13(14)15(17)18/h6 -7,9-10,12H,3-5,8,11H2,1- 2H3,(H,17,18)/t12-/m0/s1; DJDSLBVSSOQSLW-LBPRGKRZSA-N |
CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)O; CCCC C(CC)COC(=O)c1ccccc1C(=O)O; CCCC[CH](CC) COC(=O)c1ccccc1C(O)=O; CCCC[C@H](CC)COC( =O)c1ccccc1C(O)=O |
2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid; MEHP |
| 38399 | QGM CHEMBL287327 ZINC000000597480 |
8 | C17 H15 Cl2 N3 O3 | InChI=1S/C17H15Cl2N3O3/c1 8-9-6-11(19)15-12(7-9)21- 14(16(23)24)8-13(15)22-17 (25)20-10-4-2-1-3-5-10/h1 -7,13-14,21H,8H2,(H,23,24 )(H2,20,22,25)/t13-,14+/m 0/s1; UCKHICKHGAOGAP-UONOGXRCSA-N |
c1ccc(cc1)NC(=O)NC2CC(Nc3c2c(cc(c3)Cl)Cl )C(=O)O; OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccc cc2)c3c(Cl)cc(Cl)cc3N1; c1ccc(cc1)NC(=O) N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O ; N1c3c(C(CC1C(O)=O)NC(Nc2ccccc2)=O)c(cc (c3)Cl)Cl; OC(=O)[CH]1C[CH](NC(=O)Nc2ccc cc2)c3c(Cl)cc(Cl)cc3N1 |
(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid |
| 38400 | QGN CHEMBL197512 ZINC000013674785 |
1 | C7 H9 N5 | InChI=1S/C7H9N5/c1-3-4(2) 9-11-7-5(3)6(8)10-12-7/h1 -2H3,(H3,8,10,11,12); RVIXOTSPJLNAEI-UHFFFAOYSA-N |
Cc1nnc2[nH]nc(N)c2c1C; Cc1c(nnc2c1c(n[nH ]2)N)C |
4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine |