Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 36201 |  OPO CHEMBL14205 ZINC000034719541 |
3 | C6 H5 N O3 | InChI=1S/C6H5NO3/c8-6-4-2 -1-3-5(6)7(9)10/h1-4,8H; IQUPABOKLQSFBK-UHFFFAOYSA-N |
c1ccc(c(c1)[N+](=O)[O-])O; Oc1ccccc1[N+] ([O-])=O; O=[N+]([O-])c1ccccc1O |
O-NITROPHENOL |
| 36202 |  OPP DB04085 ZINC000002384689 |
0 | C10 H8 N2 O5 | InChI=1S/C10H8N2O5/c13-7- 1-2-8(14)11(7)5-17-6-12-9 (15)3-4-10(12)16/h1-4H,5- 6H2; UTRLJOWPWILGSB-UHFFFAOYSA-N |
O=C1C=CC(=O)N1COCN2C(=O)C=CC2=O; C1=CC(= O)N(C1=O)COCN2C(=O)C=CC2=O; O=C1N(C(=O)C =C1)COCN2C(=O)C=CC2=O |
1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE |
| 36203 |  OPQ ZINC000014945936 |
0 | C30 H45 N3 O4 | InChI=1S/C30H45N3O4/c1-6- 8-15-31-27(35)19-26(34)25 (16-20(3)4)32-30(37)29(21 (5)7-2)33-28(36)18-22-13- 14-23-11-9-10-12-24(23)17 -22/h9-14,17,20-21,25-26, 29,34H,6-8,15-16,18-19H2, 1-5H3,(H,31,35)(H,32,37)( H,33,36)/t21-,25-,26-,29- /m0/s1; YHTKRGDAFFBWEU-KXDOSHFCSA-N |
CCCCNC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH] (NC(=O)Cc1ccc2ccccc2c1)[CH](C)CC; O=C(NC CCC)CC(O)C(NC(=O)C(NC(=O)Cc2ccc1c(cccc1) c2)C(C)CC)CC(C)C; CCCCNC(=O)C[C@@H]([C@H ](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C c1ccc2ccccc2c1)O; CCCCNC(=O)CC(C(CC(C)C) NC(=O)C(C(C)CC)NC(=O)Cc1ccc2ccccc2c1)O; CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C @@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC |
((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE) |
| 36204 |  OPR ZINC000098209271 |
0 | C9 H18 N4 O3 | InChI=1S/C9H18N4O3/c10-6( 2-1-5-13-9(11)12)7(14)3-4 -8(15)16/h6H,1-5,10H2,(H, 15,16)(H4,11,12,13)/t6-/m 0/s1; AVCUSSJSPSVBEK-LURJTMIESA-N |
O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O; N[CH](C CCNC(N)=N)C(=O)CCC(O)=O; N[C@@H](CCCNC(N )=N)C(=O)CCC(O)=O; C(CC(C(=O)CCC(=O)O)N) CNC(=N)N; [H]/N=C(\N)/NCCC[C@@H](C(=O)CC C(=O)O)N |
(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid |
| 36205 |  OPS DB04749 |
2 | C6 H9 O2 S2 | InChI=1S/C6H10O2S2/c7-3-1 -5-10-6(8)2-4-9/h3,9H,1-2 ,4-5H2/p-1; LHLHVBHXBHTTIV-UHFFFAOYSA-M |
O=C(SCCC=O)CC[S-]; C(CSC(=O)CC[S-])C=O; [S-]CCC(=O)SCCC=O |
3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE; 2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE |
| 36206 |  OPT ZINC000098209272 |
2 | C47 H55 N7 O5 S | InChI=1S/C47H55N7O5S/c48- 47(49)51-27-10-17-40(45(5 8)54-41(29-34-20-24-39(55 )25-21-34)44(57)50-28-26- 33-11-4-1-5-12-33)53-46(5 9)42(32-60-31-36-13-6-2-7 -14-36)52-43(56)30-35-18- 22-38(23-19-35)37-15-8-3- 9-16-37/h1-9,11-16,18-25, 40-42,47,51,55H,10,17,26- 32,48-49H2,(H,50,57)(H,52 ,56)(H,53,59)(H,54,58)/t4 0-,41+,42+/m1/s1; IMZNRHOMBTZKJS-IWSHAHEXSA-N |
c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC( =O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccc cc3)NC(=O)Cc4ccc(cc4)c5ccccc5; O=C(NC(C( =O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccc(O) cc2)CCCNC(N)N)CSCc3ccccc3)Cc5ccc(c4ccccc 4)cc5; c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O) NC(=O)C(CCCNC(N)N)NC(=O)C(CSCc3ccccc3)NC (=O)Cc4ccc(cc4)c5ccccc5; NC(N)NCCC[C@@H] (NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc2ccc(cc 2)c3ccccc3)C(=O)N[C@@H](Cc4ccc(O)cc4)C(= O)NCCc5ccccc5; NC(N)NCCC[CH](NC(=O)[CH]( CSCc1ccccc1)NC(=O)Cc2ccc(cc2)c3ccccc3)C( =O)N[CH](Cc4ccc(O)cc4)C(=O)NCCc5ccccc5 |
S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide |
| 36207 |  OPU |
1 | C17 H15 Cl N4 O2 | InChI=1S/C17H15ClN4O2/c1- 10-4-6-22-9-19-21-16(22)1 5(10)20-17(23)12-5-7-24-1 4-3-2-11(18)8-13(12)14/h2 -4,6,8-9,12H,5,7H2,1H3,(H ,20,23)/t12-/m1/s1; AFDLQIMJQFTLQM-GFCCVEGCSA-N |
Cc1ccn2cnnc2c1NC(=O)C3CCOc4c3cc(cc4)Cl; Cc1ccn2cnnc2c1NC(=O)[CH]3CCOc4ccc(Cl)cc3 4; Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4ccc(C l)cc34; Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4 c3cc(cc4)Cl; Cc1ccn2cnnc2c1NC(=O)C1CCOc2 ccc(Cl)cc21 |
(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 36208 |  OPV |
5 | C16 H18 N4 O5 | InChI=1S/C16H18N4O5/c1-9- 13(19-15(23)11-3-2-4-12(2 1)14(11)22)16(24)20(25-9) 6-5-10-7-17-8-18-10/h2-4, 7-9,13,21-22H,5-6H2,1H3,( H,17,18)(H,19,23)/t9-,13- /m0/s1; YQXURFXJBIFMOA-ZANVPECISA-N |
C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC( =O)c3cccc(c3O)O; C[CH]1ON(CCc2c[nH]cn2)C (=O)[CH]1NC(=O)c3cccc(O)c3O; CC1C(C(=O)N (O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O; C[C @@H]1ON(CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3 cccc(O)c3O |
~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
| 36209 |  OPW CHEMBL5288595 |
4 | C15 H13 N3 O2 S | InChI=1S/C15H13N3O2S/c1-9 (19)17-11-5-10(7-16-8-11) 15-18-13-6-12(20-2)3-4-14 (13)21-15/h3-8H,1-2H3,(H, 17,19); JLUXIHDOQQZMIZ-UHFFFAOYSA-N |
CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC; COc1 ccc2sc(nc2c1)c3cncc(NC(C)=O)c3 |
~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide |
| 36210 |  OPX ZINC000263620979 |
8 | C12 H23 N O5 S | InChI=1S/C12H23NO5S/c14-1 0-6-12(7-11(10)15,19(16,1 7)18)8-13-9-4-2-1-3-5-9/h 9-11,13-15H,1-8H2,(H,16,1 7,18)/t10-,11+,12-; RMLVAYWMDDDXFB-ZSBIGDGJSA-N |
O[C@@H]1C[C@](CNC2CCCCC2)(C[C@@H]1O)[S]( O)(=O)=O; C1CCC(CC1)NCC2(CC(C(C2)O)O)S(= O)(=O)O; C1CCC(CC1)NCC2(C[C@H]([C@H](C2) O)O)S(=O)(=O)O; O[CH]1C[C](CNC2CCCCC2)(C [CH]1O)[S](O)(=O)=O; O=S(=O)(O)C1(CC(O)C (O)C1)CNC2CCCCC2 |
(1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid |
| 36211 |  OPY CHEMBL93505 ZINC000013529512 |
4 | C9 H19 N3 O | InChI=1S/C9H19N3O/c10-5-4 -8(11)9(13)12-6-2-1-3-7-1 2/h8H,1-7,10-11H2/t8-/m0/ s1; RKBKYSFKXFKBBM-QMMMGPOBSA-N |
NCC[C@H](N)C(=O)N1CCCCC1; O=C(N1CCCCC1)C (N)CCN; NCC[CH](N)C(=O)N1CCCCC1; C1CCN(C C1)C(=O)C(CCN)N; C1CCN(CC1)C(=O)[C@H](CC N)N |
(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine; GSK237826A |
| 36212 |  OPZ |
3 | C16 H18 N4 O5 | InChI=1S/C16H18N4O5/c1-9- 13(19-15(23)11-3-2-4-12(2 1)14(11)22)16(24)20(25-9) 6-5-10-7-17-8-18-10/h2-4, 7-9,13,21-22H,5-6H2,1H3,( H,17,18)(H,19,23)/t9-,13+ /m1/s1; YQXURFXJBIFMOA-RNCFNFMXSA-N |
C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC (=O)c3cccc(c3O)O; C[CH]1ON(CCc2c[nH]cn2) C(=O)[CH]1NC(=O)c3cccc(O)c3O; C[C@H]1ON( CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3cccc(O)c 3O; CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3 cccc(c3O)O |
~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
| 36213 |  OQ1 CHEMBL4111094 |
4 | C9 H14 F2 N2 O3 S | InChI=1S/C9H14F2N2O3S/c1- 2-12-9-13-3-4(14)5(15)6(7 (10)11)16-8(3)17-9/h3-8,1 4-15H,2H2,1H3,(H,12,13)/t 3-,4-,5+,6+,8-/m1/s1; UDQTXCHQKHIQMH-KYGLGHNPSA-N |
CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C @@H]2S1)C(F)F; CCNC1=NC2C(C(C(OC2S1)C(F) F)O)O; CCNC1=N[C@@H]2[C@H]([C@@H]([C@H]( O[C@@H]2S1)C(F)F)O)O; C1(O)C(C(F)F)OC2C( C1O)N=C(S2)NCC; CCNC1=N[CH]2[CH](O)[CH]( O)[CH](O[CH]2S1)C(F)F |
(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
| 36214 |  OQ2 |
2 | C33 H40 F3 N7 O3 | InChI=1S/C33H40F3N7O3/c1- 4-30(44)43-13-11-26(21-43 )39-32-37-12-10-29(40-32) 46-28-18-23(7-6-22(28)3)3 1(45)38-25-9-8-24(27(19-2 5)33(34,35)36)20-42-16-14 -41(5-2)15-17-42/h6-10,12 ,18-19,26H,4-5,11,13-17,2 0-21H2,1-3H3,(H,38,45)(H, 37,39,40)/t26-/m1/s1; UGBPGPFLKSJLMW-AREMUKBSSA-N |
CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc 3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5) CC; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(O c4ccnc(N[C@@H]5CCN(C5)C(=O)CC)n4)c3)cc2C (F)(F)F; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc( C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)c c2C(F)(F)F; CCC(=O)N1CCC(C1)Nc2nccc(n2)O c3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5 CCN(CC5)CC |
~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
| 36215 |  OQ3 |
2 | C11 H12 Br N O2 S | InChI=1S/C11H12BrNO2S/c1- 13(2-3-16)11(15)9-4-8(7-1 4)5-10(12)6-9/h4-7,16H,2- 3H2,1H3; ICFMGGBKNVWXGF-UHFFFAOYSA-N |
CN(CCS)C(=O)c1cc(cc(c1)Br)C=O; CN(CCS)C( =O)c1cc(Br)cc(C=O)c1 |
3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| 36216 |  OQ4 CHEMBL4650827 DB18515 |
4 | C32 H47 F N6 O4 S | InChI=1S/C32H47FN6O4S/c1- 5-39(23(3)4)31(40)27-17-2 5(33)9-12-28(27)43-29-18- 34-22-35-30(29)38-20-32(2 1-38)13-15-37(16-14-32)19 -24-7-10-26(11-8-24)36-44 (41,42)6-2/h9,12,17-18,22 -24,26,36H,5-8,10-11,13-1 6,19-21H2,1-4H3/t24-,26-; FRVSRBKUQZKTOW-YOCNBXQISA-N |
CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4 (CCN(CC4)C[CH]5CC[CH](CC5)N[S](=O)(=O)CC )C3; CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2 N3CC4(CCN(CC4)C[C@H]5CC[C@@H](CC5)N[S](= O)(=O)CC)C3; CCN(C(C)C)C(=O)c1cc(ccc1Oc2 cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O) (=O)CC)F; CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1c ncnc1N1CC2(CCN(CC2)CC2CCC(NS(=O)(=O)CC)C C2)C1 |
2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide |
| 36217 |  OQ5 |
1 | C41 H76 N4 O12 | InChI=1S/C41H76N4O12/c1-3 -45(4-2)39(49)34-57-32-30 -55-28-26-43-38(48)33-56- 31-29-54-27-25-42-36(46)2 4-23-35(41(52)53)44-37(47 )21-19-17-15-13-11-9-7-5- 6-8-10-12-14-16-18-20-22- 40(50)51/h35H,3-34H2,1-2H 3,(H,42,46)(H,43,48)(H,44 ,47)(H,50,51)(H,52,53)/t3 5-/m0/s1; WDVDVVCOWIIDFM-DHUJRADRSA-N |
CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC [C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O )=O; CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC( =O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O )C(O)=O; CCN(CC)C(=O)COCCOCCNC(=O)COCCOC CNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCC CCCCCCCC(=O)O; CCN(CC)C(=O)COCCOCCNC(=O) COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCC CCCCCCCCC(=O)O |
20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid |
| 36218 |  OQ6 |
1 | C28 H25 Cl N8 O3 | InChI=1S/C28H25ClN8O3/c1- 40-28(38)32-23-8-4-19(5-9 -23)21-14-31-35(15-21)27( 12-18-2-3-18)26-10-6-20(1 6-37(26)39)24-13-22(29)7- 11-25(24)36-17-30-33-34-3 6/h4-11,13-18,27H,2-3,12H 2,1H3,(H,32,38)/t27-/m1/s 1; HRJWNRPDBZGIOP-HHHXNRCGSA-N |
COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4cc c(c[n+]4[O-])c5cc(ccc5n6cnnn6)Cl; COC(=O )Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)c4ccc( c[n+]4[O-])c5cc(Cl)ccc5n6cnnn6; COC(=O)N c1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)c4ccc(c[ n+]4[O-])c5cc(ccc5n6cnnn6)Cl; Clc1cc(c(c c1)n1cnnn1)c1c[n+]([O-])c(cc1)C(CC1CC1)n 1cc(cn1)c1ccc(NC(=O)OC)cc1; COC(=O)Nc1cc c(cc1)c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[ O-])c5cc(Cl)ccc5n6cnnn6 |
methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate |
| 36219 |  OQ7 CHEMBL4644235 |
2 | C34 H45 N3 O8 | InChI=1S/C34H45N3O8/c1-42 -33(40)37-30(24-14-8-9-15 -24)31(39)35-25(18-22-10- 4-2-5-11-22)20-28(38)27(1 9-23-12-6-3-7-13-23)36-34 (41)45-29-21-44-32-26(29) 16-17-43-32/h2-7,10-13,24 -30,32,38H,8-9,14-21H2,1H 3,(H,35,39)(H,36,41)(H,37 ,40)/t25-,26-,27-,28-,29- ,30-,32+/m0/s1; PFQCUMURCZHTBY-NNDBWJOKSA-N |
COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@H](C[C@H ](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H] 4OCC[C@@H]34)Cc5ccccc5; COC(=O)N[C@@H](C 1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C @H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H ]4CCO5)O; COC(=O)N[CH](C1CCCC1)C(=O)N[CH ](C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[ CH]4OCC[CH]34)Cc5ccccc5; C2C1C(COC1OC2)O C(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C(C5 CCCC5)NC(OC)=O)=O)O; COC(=O)NC(C1CCCC1)C (=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC 4COC5C4CCO5)O |
methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
| 36220 |  OQ8 |
2 | C33 H40 F3 N7 O3 | InChI=1S/C33H40F3N7O3/c1- 4-30(44)43-13-11-26(21-43 )39-32-37-12-10-29(40-32) 46-28-18-23(7-6-22(28)3)3 1(45)38-25-9-8-24(27(19-2 5)33(34,35)36)20-42-16-14 -41(5-2)15-17-42/h6-10,12 ,18-19,26H,4-5,11,13-17,2 0-21H2,1-3H3,(H,38,45)(H, 37,39,40)/t26-/m0/s1; UGBPGPFLKSJLMW-SANMLTNESA-N |
CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc nc(N[C@H]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F )F; CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3c c(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN (CC5)CC; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc( C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)c c2C(F)(F)F; CCC(=O)N1CCC(C1)Nc2nccc(n2)O c3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5 CCN(CC5)CC |
~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
| 36221 |  OQ9 |
1 | C11 H13 N O2 S | InChI=1S/C11H13NO2S/c1-12 (6-7-15)11(14)10-4-2-9(8- 13)3-5-10/h2-5,8,15H,6-7H 2,1H3; QWNZTSSYNZIANR-UHFFFAOYSA-N |
CN(CCS)C(=O)c1ccc(cc1)C=O; CN(CCS)C(=O)c 1ccc(C=O)cc1 |
4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| 36222 |  OQA CHEMBL4641949 |
2 | C33 H45 N3 O8 | InChI=1S/C33H45N3O8/c1-4- 21(2)29(36-32(39)41-3)30( 38)35-26(18-23-13-9-6-10- 14-23)27(37)19-24(17-22-1 1-7-5-8-12-22)34-33(40)44 -28-20-43-31-25(28)15-16- 42-31/h5-14,21,24-29,31,3 7H,4,15-20H2,1-3H3,(H,34, 40)(H,35,38)(H,36,39)/t21 -,24+,25+,26+,27+,28+,29+ ,31-/m1/s1; ZTHXXPRDWPPMMG-CDZRAOLRSA-N |
CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1 )[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[ C@@H]4[C@H]3CCO4)O)NC(=O)OC; CC[CH](C)[C H](NC(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O) C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[C H]34; c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OC C3)=O)Cc4ccccc4)O)NC(=O)C(C(CC)C)NC(OC)= O; CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccc cc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; CC[C @@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc ccc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C @H]3CO[C@H]4OCC[C@@H]34 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36223 |  OQB CHEMBL202160 ZINC000028569328 |
2 | C26 H22 N6 O5 | InChI=1S/C26H22N6O5/c33-1 5-20(11-24(34)35)31-26(37 )17-7-10-19(27-12-17)13-2 9-25(36)16-5-8-18(9-6-16) 30-23-14-28-21-3-1-2-4-22 (21)32-23/h1-10,12,14-15, 20H,11,13H2,(H,29,36)(H,3 0,32)(H,31,37)(H,34,35)/t 20-/m0/s1; GOTFAMYWTAZALY-FQEVSTJZSA-N |
OC(=O)C[CH](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3 cnc4ccccc4n3)cc2)nc1)C=O; c1ccc2c(c1)ncc (n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)NC( CC(=O)O)C=O; OC(=O)C[C@H](NC(=O)c1ccc(CN C(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O; c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4cc c(cn4)C(=O)N[C@@H](CC(=O)O)C=O; O=C(O)CC (C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3 c(nc2)cccc3)cc4 |
4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID |
| 36224 |  OQC CHEMBL4116165 |
5 | C11 H10 Cl N O | InChI=1S/C11H10ClNO/c12-1 1-5-8(6-13)1-2-10(11)9-3- 4-14-7-9/h1-5,7H,6,13H2; QCBBLYZCXYKKFL-UHFFFAOYSA-N |
c1cc(c(cc1CN)Cl)c2ccoc2; NCc1ccc(c(Cl)c1 )c2cocc2 |
[3-chloranyl-4-(furan-3-yl)phenyl]methanamine |
| 36225 |  OQD CHEMBL4648539 |
2 | C33 H45 N3 O8 | InChI=1S/C33H45N3O8/c1-4- 21(2)29(36-32(39)41-3)30( 38)35-26(18-23-13-9-6-10- 14-23)27(37)19-24(17-22-1 1-7-5-8-12-22)34-33(40)44 -28-20-43-31-25(28)15-16- 42-31/h5-14,21,24-29,31,3 7H,4,15-20H2,1-3H3,(H,34, 40)(H,35,38)(H,36,39)/t21 -,24-,25-,26-,27-,28-,29- ,31+/m0/s1; ZTHXXPRDWPPMMG-BDOBJAQCSA-N |
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc 1ccccc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O) O[C@H]3CO[C@H]4OCC[C@@H]34; c1(ccccc1)CC (C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O) NC(=O)C(C(C)CC)NC(OC)=O; CC[CH](C)[CH](N C(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34 ; CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; CC[C@ H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H] (C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4 [C@H]3CCO4)O)NC(=O)OC |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36226 |  OQE CHEMBL5564234 ZINC000013629125 |
3 | C16 H18 N O5 P | InChI=1S/C16H18NO5P/c18-1 6(17-11-10-13-6-2-1-3-7-1 3)12-22-14-8-4-5-9-15(14) 23(19,20)21/h1-9H,10-12H2 ,(H,17,18)(H2,19,20,21); FRNXSTXSXYWTDK-UHFFFAOYSA-N |
c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O; O [P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2 |
[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid |
| 36227 |  OQF |
1 | C20 H20 N6 O S | InChI=1S/C20H20N6OS/c1-24 (2)16-7-9-17(10-8-16)25(1 1-15-13-28-14-21-15)20(27 )12-26-19-6-4-3-5-18(19)2 2-23-26/h3-10,13-14H,11-1 2H2,1-2H3; BZTBYCRNDCQTCD-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4cccc c4nn3; CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn 3nnc4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1cs cn1)c1ccc(cc1)N(C)C |
2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide |
| 36228 |  OQG CHEMBL4639819 |
2 | C32 H43 N3 O8 | InChI=1S/C32H43N3O8/c1-20 (2)28(35-31(38)40-3)29(37 )34-25(17-22-12-8-5-9-13- 22)26(36)18-23(16-21-10-6 -4-7-11-21)33-32(39)43-27 -19-42-30-24(27)14-15-41- 30/h4-13,20,23-28,30,36H, 14-19H2,1-3H3,(H,33,39)(H ,34,37)(H,35,38)/t23-,24- ,25-,26-,27-,28-,30+/m0/s 1; WVKJHIVGBANALA-DMVQEWIISA-N |
COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc cc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@ H]3CO[C@H]4OCC[C@@H]34; COC(=O)N[CH](C(C )C)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2 ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34; CC( C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC( =O)OC3COC4C3CCO4)O)NC(=O)OC; c1(ccccc1)C C(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O )NC(=O)C(C(C)C)NC(OC)=O; CC(C)[C@@H](C(= O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2cccc c2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC (=O)OC |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36229 |  OQH |
1 | C12 H15 N O2 | InChI=1S/C12H15NO2/c1-2-1 3-12(15)9-8-11(14)10-6-4- 3-5-7-10/h3-7H,2,8-9H2,1H 3,(H,13,15); DSZHWKIWJYHWTO-UHFFFAOYSA-N |
CCNC(=O)CCC(=O)c1ccccc1 | ~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide |
| 36230 |  OQI CHEMBL5195600 |
1 | C28 H24 Cl F N8 O3 | InChI=1S/C28H24ClFN8O3/c1 -41-28(39)33-21-7-4-18(5- 8-21)20-13-32-36(14-20)25 (12-17-2-3-17)23-10-6-19( 15-38(23)40)26-24(37-16-3 1-34-35-37)11-9-22(29)27( 26)30/h4-11,13-17,25H,2-3 ,12H2,1H3,(H,33,39)/t25-/ m1/s1; UEZIPJPABXSKCS-RUZDIDTESA-N |
COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3) c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3 )c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6 ; Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(c c1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1; COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4c cc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; CO C(=O)Nc1ccc(cc1)c2cnn(c2)[CH](CC3CC3)c4c cc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6 |
methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate |
| 36231 |  OQJ CHEMBL4755144 ZINC000033008219 |
1 | C22 H17 Cl N4 O3 S | InChI=1S/C22H17ClN4O3S/c1 -30-18-10-7-14(23)11-17(1 8)25-21(29)24-15-8-9-16-1 9(12-15)31-22(26-16)27-20 (28)13-5-3-2-4-6-13/h2-12 H,1H3,(H2,24,25,29)(H,26, 27,28); GFYCKNKAOMHFQF-UHFFFAOYSA-N |
COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4cc ccc4)sc3c2; COc1ccc(cc1NC(=O)Nc2ccc3c(c2 )sc(n3)NC(=O)c4ccccc4)Cl; c1cc(c(cc1Cl)N C(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC |
N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide |
| 36232 |  OQK |
1 | C17 H11 F3 N4 O2 S | InChI=1S/C17H11F3N4O2S/c1 8-17(19,20)12-7-5-10(6-8- 12)14-22-23-16(27)24(14)2 1-9-11-3-1-2-4-13(11)15(2 5)26/h1-9H,(H,23,27)(H,25 ,26)/b21-9+; XSLMCXSXQVUMLN-ZVBGSRNCSA-N |
OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F )(F)F; OC(=O)c1ccccc1/C=N/n2c(S)nnc2c3cc c(cc3)C(F)(F)F; c1ccc(c(c1)/C=N/n2c(nnc2 S)c3ccc(cc3)C(F)(F)F)C(=O)O; c1ccc(c(c1) C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O |
2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
| 36233 |  OQL |
4 | C19 H16 Cl N3 O | InChI=1S/C19H16ClN3O/c20- 13-5-6-17-16(9-13)15(7-8- 22-17)19(24)23-18-11-21-1 0-12-3-1-2-4-14(12)18/h1- 6,9-11,15,22H,7-8H2,(H,23 ,24)/t15-/m1/s1; TUZBEGQKTWHIIP-OAHLLOKOSA-N |
Clc1ccc2NCC[CH](C(=O)Nc3cncc4ccccc34)c2c 1; c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4 )Cl; Clc1ccc2NCC[C@@H](C(=O)Nc3cncc4cccc c34)c2c1; Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc 2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@H]3C CNc4c3cc(cc4)Cl |
(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 36234 |  OQM CHEMBL4788009 ZINC000046023899 |
1 | C21 H17 F3 N6 O | InChI=1S/C21H17F3N6O/c1-1 2-17(10-18(31)27-16-7-3-6 -15(9-16)21(22,23)24)13(2 )30-20(26-12)28-19(29-30) 14-5-4-8-25-11-14/h3-9,11 H,10H2,1-2H3,(H,27,31); MTJCWZPTCSKXKK-UHFFFAOYSA-N |
Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4 cccc(c4)C(F)(F)F; c3(c1cnccc1)nc2nc(c(c( C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C; Cc1n c2nc(nn2c(C)c1CC(=O)Nc3cccc(c3)C(F)(F)F) c4cccnc4 |
2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| 36235 |  OQN |
3 | C18 H18 N6 O | InChI=1S/C18H18N6O/c1-20- 18-21-13-9-12-14(22-17(19 )24-16(12)25)11(15(13)23- 18)8-7-10-5-3-2-4-6-10/h2 -6,9H,7-8H2,1H3,(H2,20,21 ,23)(H3,19,22,24,25); WJCDAOMLVZDAIC-UHFFFAOYSA-N |
CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4c c2n1; CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N =C(NC3=O)N |
6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one; 6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
| 36236 |  OQO |
1 | C26 H23 Cl F N9 O | InChI=1S/C26H23ClFN9O/c1- 15-19(5-9-24(29)32-15)18- 11-31-35(12-18)23(10-16-2 -3-16)21-7-4-17(13-37(21) 38)25-22(36-14-30-33-34-3 6)8-6-20(27)26(25)28/h4-9 ,11-14,16,23H,2-3,10H2,1H 3,(H2,29,32)/t23-/m1/s1; LGWUJLNQWXJMJR-HSZRJFAPSA-N |
Cc1c(ccc(n1)N)c2cnn(c2)[C@H](CC3CC3)c4cc c(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; Cc1 nc(N)ccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+ ]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Cc1c(ccc( n1)N)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-]) c5c(ccc(c5F)Cl)n6cnnn6; Fc1c(Cl)ccc(n2cn nn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(c n1)c1ccc(N)nc1C; Cc1nc(N)ccc1c2cnn(c2)[C @H](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)c cc5n6cnnn6 |
5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine |
| 36237 |  OQP CHEMBL4647359 |
2 | C33 H43 N3 O8 | InChI=1S/C33H43N3O8/c1-41 -32(40)36-33(15-8-9-16-33 )30(38)34-24(18-22-10-4-2 -5-11-22)20-27(37)26(19-2 3-12-6-3-7-13-23)35-31(39 )44-28-21-43-29-25(28)14- 17-42-29/h2-7,10-13,24-29 ,37H,8-9,14-21H2,1H3,(H,3 4,38)(H,35,39)(H,36,40)/t 24-,25-,26-,27-,28-,29+/m 0/s1; RTQWXKCFXHCIFO-VEIVPZTASA-N |
COC(=O)NC1(CCCC1)C(=O)N[CH](C[CH](O)[CH] (Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34) Cc5ccccc5; COC(=O)NC1(CCCC1)C(=O)NC(Cc2c cccc2)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5 )O; COC(=O)NC1(CCCC1)C(=O)N[C@H](C[C@H]( O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]4O CC[C@@H]34)Cc5ccccc5; C2(C1CCOC1OC2)OC(= O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C5(CCCC 5)NC(=O)OC)=O)O; COC(=O)NC1(CCCC1)C(=O)N [C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3 )NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate |
| 36238 |  OQQ |
2 | C19 H17 F3 N6 O | InChI=1S/C19H17F3N6O/c1-2 4-18-25-13-8-12-14(26-17( 23)28-16(12)29)11(15(13)2 7-18)7-4-9-2-5-10(6-3-9)1 9(20,21)22/h2-3,5-6,8H,4, 7H2,1H3,(H2,24,25,27)(H3, 23,26,28,29); ZWUPQNLDYYEWTK-UHFFFAOYSA-N |
CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F )F)NC(=NC3=O)N; CNc1[nH]c2cc3C(=O)N=C(N) Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1 |
6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one; 6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one |
| 36239 |  OQR CHEMBL1403931 ZINC000000000570 |
3 | C14 H21 N3 O3 | InChI=1S/C14H21N3O3/c1-9( 2)15-7-12-4-3-10-5-11(8-1 8)14(17(19)20)6-13(10)16- 12/h5-6,9,12,15-16,18H,3- 4,7-8H2,1-2H3/t12-/m1/s1; XCGYUJZMCCFSRP-GFCCVEGCSA-N |
CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-] )CO; CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O- ])CO; C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O -])=O; CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+ ]([O-])=O; CC(C)NC[C@H]1CCc2cc(CO)c(cc2N 1)[N+]([O-])=O |
{(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol; oxamniquine |
| 36240 |  OQS CHEMBL4739922 ZINC000001330777 |
1 | C21 H15 Cl F3 N5 O3 | InChI=1S/C21H15ClF3N5O3/c 1-33-14-5-3-13(4-6-14)30- 19-15(9-27-30)20(32)29(11 -26-19)10-18(31)28-17-8-1 2(21(23,24)25)2-7-16(17)2 2/h2-9,11H,10H2,1H3,(H,28 ,31); VVMPLFOVCSRJQQ-UHFFFAOYSA-N |
COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O) Nc4cc(ccc4Cl)C(F)(F)F; COc1ccc(cc1)n2ncc 3C(=O)N(CC(=O)Nc4cc(ccc4Cl)C(F)(F)F)C=Nc 23; c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c 1)Cl)=O)C=Nc23)=O)ccc(c4)OC |
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide |
| 36241 |  OQT |
1 | C16 H13 F3 N2 O2 S | InChI=1S/C16H13F3N2O2S/c1 7-11-8-12(18)15(16(14(11) 19)24(20,22)23)21-13-7-3- 5-9-4-1-2-6-10(9)13/h1-4, 6-8,13,21H,5H2,(H2,20,22, 23)/t13-/m0/s1; ILONVCLABRPQHC-ZDUSSCGKSA-N |
N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc 3ccccc23; N[S](=O)(=O)c1c(F)c(F)cc(F)c1N [C@H]2C=CCc3ccccc23; c1ccc2c(c1)CC=C[C@@ H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F; c1ccc2c (c1)CC=CC2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F |
2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide; 2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide |
| 36242 |  OQU |
2 | C10 H6 Br F3 N4 S | InChI=1S/C10H6BrF3N4S/c11 -7-3-1-2-6(4-7)5-15-18-8( 10(12,13)14)16-17-9(18)19 /h1-5H,(H,17,19)/b15-5+; VLJIPDZUVTZJIE-PJQLUOCWSA-N |
c1cc(cc(c1)Br)C=Nn2c(nnc2S)C(F)(F)F; FC( F)(F)c1nnc(S)n1/N=C/c2cccc(Br)c2; c1cc(c c(c1)Br)/C=N/n2c(nnc2S)C(F)(F)F; FC(F)(F )c1nnc(S)n1N=Cc2cccc(Br)c2 |
4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
| 36243 |  OQV CHEMBL4640533 |
2 | C33 H45 N3 O8 | InChI=1S/C33H45N3O8/c1-33 (2,3)28(36-31(39)41-4)29( 38)34-23(17-21-11-7-5-8-1 2-21)19-26(37)25(18-22-13 -9-6-10-14-22)35-32(40)44 -27-20-43-30-24(27)15-16- 42-30/h5-14,23-28,30,37H, 15-20H2,1-4H3,(H,34,38)(H ,35,40)(H,36,39)/t23-,24- ,25-,26-,27-,28+,30+/m0/s 1; LPGGYDYQUYLLOU-LGDXJAAOSA-N |
CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[ C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@ @H]4[C@H]3CCO4)O)NC(=O)OC; COC(=O)N[CH]( C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O) O[CH]2CO[CH]3OCC[CH]23)Cc4ccccc4)C(C)(C) C; COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C @H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C @@H]23)Cc4ccccc4)C(C)(C)C; c1(ccccc1)CC( C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O )O)NC(OC3C4C(OC3)OCC4)=O; CC(C)(C)C(C(=O )NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)OC3CO C4C3CCO4)O)NC(=O)OC |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36244 |  OQW |
1 | C14 H19 F3 N2 O2 S | InChI=1S/C14H19F3N2O2S/c1 5-10-8-11(16)13(14(12(10) 17)22(18,20)21)19-9-6-4-2 -1-3-5-7-9/h8-9,19H,1-7H2 ,(H2,18,20,21); CRSVSKVDNXYYQV-UHFFFAOYSA-N |
N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2 ; c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2 )F |
2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide; 2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide |
| 36245 |  OQX |
1 | C22 H19 Cl N4 O2 | InChI=1S/C22H19ClN4O2/c1- 29-19-11-9-18(10-12-19)26 (14-16-5-4-6-17(23)13-16) 22(28)15-27-21-8-3-2-7-20 (21)24-25-27/h2-13H,14-15 H2,1H3; RVLKWCGLMRBJIF-UHFFFAOYSA-N |
COc1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4 ccccc34; COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(= O)Cn1nnc2ccccc21; COc1ccc(cc1)N(Cc2cccc( c2)Cl)C(=O)Cn3c4ccccc4nn3 |
2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide |
| 36246 |  OQY CHEMBL4636562 |
2 | C33 H45 N3 O8 | InChI=1S/C33H45N3O8/c1-33 (2,3)28(36-31(39)41-4)29( 38)35-25(18-22-13-9-6-10- 14-22)26(37)19-23(17-21-1 1-7-5-8-12-21)34-32(40)44 -27-20-43-30-24(27)15-16- 42-30/h5-14,23-28,30,37H, 15-20H2,1-4H3,(H,34,40)(H ,35,38)(H,36,39)/t23-,24- ,25-,26-,27-,28+,30+/m0/s 1; GYVMEIFMNCTCMZ-LGDXJAAOSA-N |
CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; COC(= O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34 )C(C)(C)C; CC(C)(C)[C@@H](C(=O)N[C@@H](C c1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[ C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC; COC (=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H] (O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H] 4OCC[C@@H]34)C(C)(C)C; c1(ccccc1)CC(C(CC (NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O )C(C(C)(C)C)NC(OC)=O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36247 |  OQZ |
3 | C19 H22 Cl N3 O2 S | InChI=1S/C19H22ClN3O2S/c2 0-17-9-8-14(26-17)12-22-1 8(24)16-7-4-10-23(16)19(2 5)15(21)11-13-5-2-1-3-6-1 3/h1-3,5-6,8-9,15-16H,4,7 ,10-12,21H2,(H,22,24)/t15 -,16+/m1/s1; RAMUDOPEEQUPEA-CVEARBPZSA-N |
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC c3ccc(s3)Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2 C(=O)NCc3ccc(s3)Cl)N; N[CH](Cc1ccccc1)C( =O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3; N[C@H]( Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3sc(Cl )cc3 |
(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide |
| 36248 |  OR0 |
1 | C25 H20 Cl F2 N9 O | InChI=1S/C25H20ClF2N9O/c2 6-18-5-7-20(36-13-30-33-3 4-36)23(24(18)27)15-3-6-1 9(37(38)12-15)21(9-14-1-2 -14)35-11-16(10-31-35)17- 4-8-22(29)32-25(17)28/h3- 8,10-14,21H,1-2,9H2,(H2,2 9,32)/t21-/m1/s1; QBLULMRFSPWMPT-OAQYLSRUSA-N |
c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-] )[C@@H](CC4CC4)n5cc(cn5)c6ccc(nc6F)N; Nc 1ccc(c(F)n1)c2cnn(c2)[C@H](CC3CC3)c4ccc( c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Fc1c( Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC 1CC1)n1cc(cn1)c1ccc(N)nc1F; c1cc([n+](cc 1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5 cc(cn5)c6ccc(nc6F)N; Nc1ccc(c(F)n1)c2cnn (c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c (Cl)ccc5n6cnnn6 |
5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine |
| 36249 |  OR1 CHEMBL4642725 ZINC000003930784 |
4 | C35 H42 N2 O7 | InChI=1S/C35H42N2O7/c1-23 -10-9-11-24(2)33(23)42-22 -32(39)37-29(19-26-14-7-4 -8-15-26)30(38)20-27(18-2 5-12-5-3-6-13-25)36-35(40 )44-31-21-43-34-28(31)16- 17-41-34/h3-15,27-31,34,3 8H,16-22H2,1-2H3,(H,36,40 )(H,37,39)/t27-,28-,29-,3 0-,31-,34+/m0/s1; GRHZLQBPAJAHDM-SPRQWYLLSA-N |
Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(Cc3cc ccc3)NC(=O)OC4COC5C4CCO5)O)C; Cc1cccc(C) c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc 3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45; C( C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O )NC(=O)COc4c(cccc4C)C)c5ccccc5; Cc1cccc( c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H]( Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CC O5)O)C; Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2cc ccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)O[C @H]4CO[C@H]5OCC[C@@H]45 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate |
| 36250 |  OR4 |
2 | C17 H14 O4 | InChI=1S/C17H14O4/c18-17( 19)8-13-11-21-16-9-14(6-7 -15(13)16)20-10-12-4-2-1- 3-5-12/h1-7,9,11H,8,10H2, (H,18,19); VJEZHKLENQLLAZ-UHFFFAOYSA-N |
c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O; OC(= O)Cc1coc2cc(OCc3ccccc3)ccc12; C(O)(Cc1c3 c(oc1)cc(OCc2ccccc2)cc3)=O |
[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid |
| 36251 |  OR5 |
0 | C5 H13 O8 P | InChI=1/C5H13O8P/c6-1-3(7 )5(9)4(8)2-13-14(10,11)12 /h3-9H,1-2H2,(H2,10,11,12 )/t3-,4+,5-/m0/s1/f/h10-1 1H; VJDOAZKNBQCAGE-UYXRDBCVDP |
C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O )O; OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O )=O; C(C(C(C(COP(=O)(O)O)O)O)O)O; OC[CH] (O)[CH](O)[CH](O)CO[P](O)(O)=O; O=P(O)(O )OCC(O)C(O)C(O)CO |
OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE |
| 36252 |  OR6 CHEMBL3359155 ZINC000034202661 |
1 | C9 H14 O4 | InChI=1S/C9H14O4/c1-3-4-5 -7(9(12)13)6(2)8(10)11/h7 H,2-5H2,1H3,(H,10,11)(H,1 2,13)/t7-/m0/s1; ULDVOPUXMRCBDH-ZETCQYMHSA-N |
CCCCC(C(=C)C(=O)O)C(=O)O; CCCC[C@@H](C(= C)C(=O)O)C(=O)O; CCCC[CH](C(O)=O)C(=C)C( O)=O; CCCC[C@H](C(O)=O)C(=C)C(O)=O |
(2~{S})-2-butyl-3-methylidene-butanedioic acid |
| 36253 |  OR7 CHEMBL4458365 |
1 | C12 H16 Cl2 N2 O4 S | InChI=1S/C12H16Cl2N2O4S/c 1-16(5-6-20-2)21(18,19)11 -7-9(3-4-10(11)14)15-12(1 7)8-13/h3-4,7H,5-6,8H2,1- 2H3,(H,15,17); ADUIOJAMEFYIGZ-UHFFFAOYSA-N |
COCCN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl ; CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl ; C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)= O)Cl |
2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide |
| 36254 |  OR8 ZINC000098209273 |
4 | C17 H19 Cl N4 O3 S | InChI=1S/C17H19ClN4O3S/c1 -10-15(12(3)25-21-10)14-7 -5-13(6-8-14)9-19-26(23,2 4)16-11(2)20-22(4)17(16)1 8/h5-8,19H,9H2,1-4H3; XNTNHEPWXKNVBH-UHFFFAOYSA-N |
Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C) cc3)C)C; Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2c cc(cc2)c3c(C)onc3C; Cc1c(c(on1)C)c2ccc(c c2)CNS(=O)(=O)c3c(nn(c3Cl)C)C |
2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE |
| 36255 |  OR9 CHEMBL53 DB00714 ZINC000000009073 |
2 | C17 H17 N O2 | InChI=1S/C17H17NO2/c1-18- 8-7-10-3-2-4-12-15(10)13( 18)9-11-5-6-14(19)17(20)1 6(11)12/h2-6,13,19-20H,7- 9H2,1H3/t13-/m1/s1; VMWNQDUVQKEIOC-CYBMUJFWSA-N |
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O; C N1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34; CN1C Cc2cccc-3c2C1Cc4c3c(c(cc4)O)O; CN1CCc2cc cc3c2[C@H]1Cc4ccc(O)c(O)c34; C12Cc4ccc(c (c4c3c1c(CCN2C)ccc3)O)O |
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
| 36256 |  ORA CHEMBL1615565 ZINC000004261935 |
0 | C16 H12 N2 O7 S2 | InChI=1S/C16H12N2O7S2/c19 -13-7-6-10-8-12(26(20,21) 22)9-14(27(23,24)25)15(10 )16(13)18-17-11-4-2-1-3-5 -11/h1-9,19H,(H,20,21,22) (H,23,24,25)/b18-17+; MPVDXIMFBOLMNW-ISLYRVAYSA-N |
Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)[S](O)(=O)= O)[S](O)(=O)=O; c1ccc(cc1)/N=N/c2c(ccc3c 2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O; c1ccc( cc1)N=Nc2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O )(=O)O)O; O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c 1ccccc1)cc(c3)S(=O)(=O)O |
7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid; Orange G |
| 36257 |  ORB ZINC000098209274 |
2 | C18 H17 Cl F N3 O3 S | InChI=1S/C18H17ClFN3O3S/c 1-10(23-27(24,25)17-11(2) 22-26-12(17)3)13-4-6-14(7 -5-13)16-8-15(20)9-21-18( 16)19/h4-10,23H,1-3H3/t10 -/m1/s1; UOZIRTCHSJAAOG-SNVBAGLBSA-N |
Cc1c(c(on1)C)S(=O)(=O)NC(C)c2ccc(cc2)c3c c(cnc3Cl)F; Cc1c(c(on1)C)S(=O)(=O)N[C@H] (C)c2ccc(cc2)c3cc(cnc3Cl)F; C[CH](N[S](= O)(=O)c1c(C)onc1C)c2ccc(cc2)c3cc(F)cnc3C l; O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2cc(F)c nc2Cl)cc3)C; C[C@@H](N[S](=O)(=O)c1c(C)o nc1C)c2ccc(cc2)c3cc(F)cnc3Cl |
N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE |
| 36258 |  ORC ZINC000098209275 |
1 | C18 H21 N3 O4 S | InChI=1S/C18H21N3O4S/c1-1 0(21-26(22,23)18-12(3)20- 25-14(18)5)15-6-8-16(9-7- 15)17-11(2)19-24-13(17)4/ h6-10,21H,1-5H3/t10-/m1/s 1; QXPXDFCURRGQGI-SNVBAGLBSA-N |
C[C@@H](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc 2)c3c(C)onc3C; C[CH](N[S](=O)(=O)c1c(C)o nc1C)c2ccc(cc2)c3c(C)onc3C; Cc1c(c(on1)C )c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C) C; Cc1c(c(on1)C)c2ccc(cc2)C(C)NS(=O)(=O) c3c(noc3C)C; O=S(=O)(c1c(onc1C)C)NC(c3cc c(c2c(onc2C)C)cc3)C |
(R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE |
| 36259 |  ORD CHEMBL103686 ZINC000001532678 |
8 | C5 H12 N2 O2 | InChI=1S/C5H12N2O2/c6-3-1 -2-4(7)5(8)9/h4H,1-3,6-7H 2,(H,8,9)/t4-/m1/s1; AHLPHDHHMVZTML-SCSAIBSYSA-N |
C(C[C@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O; O=C(O)C(N)CCCN; NCCC[C@@H](N)C(O)=O; C( CC(C(=O)O)N)CN |
D-ORNITHINE |
| 36260 |  ORE DB04750 ZINC000012504493 |
3 | C21 H10 F2 O7 | InChI=1S/C21H10F2O7/c22-1 3-4-11-17(6-15(13)24)30-1 8-7-16(25)14(23)5-12(18)1 9(11)9-2-1-8(20(26)27)3-1 0(9)21(28)29/h1-7,24H,(H, 26,27)(H,28,29); BRJCLSQFZSHLRL-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C= C3Oc4c2cc(c(c4)O)F)F; O=C(O)c4ccc(C=1c3c (OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(= O)O)c4; OC(=O)c1ccc(c(c1)C(O)=O)C2=C3C=C (F)C(=O)C=C3Oc4cc(O)c(F)cc24 |
4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID; OREGON GREEN 488 CARBOXYLATE |
| 36261 |  ORF |
1 | C25 H18 Cl2 F2 N8 O | InChI=1S/C25H18Cl2F2N8O/c 26-17-4-6-21(36-13-31-33- 34-36)24(25(17)29)15-3-5- 20(37(38)12-15)22(7-14-1- 2-14)35-11-16(8-32-35)23- 18(27)9-30-10-19(23)28/h3 -6,8-14,22H,1-2,7H2/t22-/ m1/s1; HHZXBCQTDGQCBH-JOCHJYFZSA-N |
c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-] )[C@@H](CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; c 1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]) C(CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; [O-][n+ ]1cc(ccc1[C@@H](CC2CC2)n3cc(cn3)c4c(F)cn cc4Cl)c5c(F)c(Cl)ccc5n6cnnn6; [O-][n+]1c c(ccc1[CH](CC2CC2)n3cc(cn3)c4c(F)cncc4Cl )c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(Cl)ccc(n2c nnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc( cn1)c1c(F)cncc1Cl |
3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine |
| 36262 |  ORG CHEMBL1084679 ZINC000006745699 |
1 | C14 H21 N7 | InChI=1S/C14H21N7/c15-10- 12-18-13(17-11-4-2-1-3-5- 11)20-14(19-12)21-8-6-16- 7-9-21/h11,16H,1-9H2,(H,1 7,18,19,20); ZBLLHXCRPWKVCY-UHFFFAOYSA-N |
C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N; N#Cc 1nc(NC2CCCCC2)nc(n1)N3CCNCC3 |
4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile |
| 36263 |  ORH CHEMBL1084114 ZINC000049046145 |
2 | C19 H20 F3 N5 O2 | InChI=1S/C19H20F3N5O2/c20 -19(21,22)14-6-4-7-15(12- 14)27-18(29)26(17(28)16(1 3-23)24-27)11-5-10-25-8-2 -1-3-9-25/h4,6-7,12H,1-3, 5,8-11H2; HKAVWQNLXOMWLR-UHFFFAOYSA-N |
FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3 CCCCC3)C2=O; c1cc(cc(c1)N2C(=O)N(C(=O)C( =N2)C#N)CCCN3CCCCC3)C(F)(F)F |
3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile |
| 36264 |  ORI ZINC000004416663 |
8 | C16 H12 N2 O4 S | InChI=1S/C16H12N2O4S/c19- 16-10-9-15(13-3-1-2-4-14( 13)16)18-17-11-5-7-12(8-6 -11)23(20,21)22/h1-10,19H ,(H,20,21,22)/b18-17+; PURJGKXXWJKIQR-ISLYRVAYSA-N |
Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc 13; c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O )(=O)O; c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc 3)S(=O)(=O)O; O=S(=O)(O)c3ccc(/N=N/c2c1c cccc1c(O)cc2)cc3 |
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid; Orange I |
| 36265 |  ORJ |
16 | C16 H13 F N2 O3 S | InChI=1S/C16H13FN2O3S/c1- 18-15(21)6-9-2-4-11(8-13( 9)20)22-16-19-12-5-3-10(1 7)7-14(12)23-16/h2-5,7-8, 20H,6H2,1H3,(H,18,21); VNVALNOVDDOJNH-UHFFFAOYSA-N |
CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F; n2 c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F; CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O |
2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide |
| 36266 |  ORK ZINC000029337388 |
1 | C25 H34 N3 O7 P | InChI=1S/C25H34N3O7P/c1-1 7(2)14-21(23(29)26-18(3)2 4(30)31)28-36(33,34)22(15 -19-10-6-4-7-11-19)27-25( 32)35-16-20-12-8-5-9-13-2 0/h4-13,17-18,21-22H,14-1 6H2,1-3H3,(H,26,29)(H,27, 32)(H,30,31)(H2,28,33,34) /t18-,21-,22-/m0/s1; PREBTZMCCRSQJI-NYVOZVTQSA-N |
C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O) ([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC (C)CC(C(=O)NC(C)C(=O)O)NP(=O)(C(Cc1ccccc 1)NC(=O)OCc2ccccc2)O; CC(C)C[CH](N[P](O) (=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O )N[CH](C)C(O)=O; CC(C)C[C@H](N[P](O)(=O) [C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N [C@@H](C)C(O)=O |
(2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid |
| 36267 |  ORL |
2 | C17 H11 F3 N4 O2 S | InChI=1S/C17H11F3N4O2S/c1 8-17(19,20)13-6-4-11(5-7- 13)14-22-23-16(27)24(14)2 1-9-10-2-1-3-12(8-10)15(2 5)26/h1-9H,(H,23,27)(H,25 ,26)/b21-9+; PJNXGQNXUOFJCG-ZVBGSRNCSA-N |
OC(=O)c1cccc(/C=N/n2c(S)nnc2c3ccc(cc3)C( F)(F)F)c1; c1cc(cc(c1)C(=O)O)C=Nn2c(nnc2 S)c3ccc(cc3)C(F)(F)F; OC(=O)c1cccc(C=Nn2 c(S)nnc2c3ccc(cc3)C(F)(F)F)c1; c1cc(cc(c 1)C(=O)O)/C=N/n2c(nnc2S)c3ccc(cc3)C(F)(F )F |
3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
| 36268 |  ORM CHEMBL4454026 |
1 | C11 H14 Cl2 N2 O3 S | InChI=1S/C11H14Cl2N2O3S/c 1-7(2)15-19(17,18)10-5-8( 3-4-9(10)13)14-11(16)6-12 /h3-5,7,15H,6H2,1-2H3,(H, 14,16); KNMHYCCVNWINHU-UHFFFAOYSA-N |
CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl; CC (C)N[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl; C( C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl |
2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide |
| 36269 |  ORN CHEMBL446143 DB00129 ZINC000001532530 |
166 | C5 H12 N2 O2 | InChI=1S/C5H12N2O2/c6-3-1 -2-4(7)5(8)9/h4H,1-3,6-7H 2,(H,8,9)/t4-/m0/s1; AHLPHDHHMVZTML-BYPYZUCNSA-N |
C(C[C@@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O ; NCCC[C@H](N)C(O)=O; O=C(O)C(N)CCCN; C( CC(C(=O)O)N)CN |
L-ornithine |
| 36270 |  ORO CHEMBL1235017 DB02262 ZINC000001408068 |
4 | C5 H4 N2 O4 | InChI=1S/C5H4N2O4/c8-3-1- 2(4(9)10)6-5(11)7-3/h1H,( H,9,10)(H2,6,7,8,11); PXQPEWDEAKTCGB-UHFFFAOYSA-N |
OC(=O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1= O)C(=O)O; O=C(O)C1=CC(=O)NC(=O)N1 |
OROTIC ACID |
| 36271 |  ORP ZINC000003869833 |
0 | C5 H11 O7 P | InChI=1S/C5H11O7P/c6-3-1- 5(7)12-4(3)2-11-13(8,9)10 /h3-7H,1-2H2,(H2,8,9,10)/ t3-,4+,5-/m0/s1; KKZFLSZAWCYPOC-LMVFSUKVSA-N |
O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1; O=P (OCC1OC(O)CC1O)(O)O; C1C(C(OC1O)COP(=O)( O)O)O; C1[C@@H]([C@H](O[C@@H]1O)COP(=O)( O)O)O; O[C@@H]1C[C@H](O)[C@@H](CO[P](O)( O)=O)O1 |
2-DEOXY-5-PHOSPHONO-RIBOSE |
| 36272 |  ORQ ZINC000003650287 |
0 | C7 H14 N2 O3 | InChI=1S/C7H14N2O3/c1-5(1 0)9-4-2-3-6(8)7(11)12/h6H ,2-4,8H2,1H3,(H,9,10)(H,1 1,12)/t6-/m0/s1; SRXKAYJJGAAOBP-LURJTMIESA-N |
CC(=O)NCCC[CH](N)C(O)=O; CC(=O)NCCC[C@H] (N)C(O)=O; CC(=O)NCCCC(C(=O)O)N; CC(=O)N CCC[C@@H](C(=O)O)N; O=C(NCCCC(N)C(=O)O)C |
N~5~-ACETYL-L-ORNITHINE |
| 36273 |  ORR |
1 | C16 H16 Cl N3 O | InChI=1S/C16H16ClN3O/c17- 12-4-1-3-11(7-12)8-16(21) 20-6-2-5-13-14(18)9-19-10 -15(13)20/h1,3-4,7,9-10H, 2,5-6,8,18H2; KFDIFJWRZNKQEO-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N; Nc1 cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3; Clc1cc cc(c1)CC(=O)N1CCCc2c1cncc2N |
1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one |
| 36274 |  ORS |
1 | C10 H15 Cl2 Rh | InChI=1S/C10H15.2ClH.Rh/c 1-6-7(2)9(4)10(5)8(6)3;;; /h1-5H3;2*1H;/q;;;+2/p-2; QVLTVILSYOWFRM-UHFFFAOYSA-L |
C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl ; CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl; CC12C3([R h]145(C2(C4(C53C)C)C)(Cl)Cl)C |
dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium |
| 36275 |  ORT ZINC000001688368 |
0 | C5 H11 N3 O3 | InChI=1S/C5H11N3O3/c6-3(5 (10)11)1-2-4(9)8-7/h3H,1- 2,6-7H2,(H,8,9)(H,10,11)/ t3-/m0/s1; MOFBPUBBBREDCE-VKHMYHEASA-N |
C(CC(=O)NN)C(C(=O)O)N; C(CC(=O)NN)[C@@H] (C(=O)O)N; NNC(=O)CC[CH](N)C(O)=O; NNC(= O)CC[C@H](N)C(O)=O |
(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide |
| 36276 |  ORU |
1 | C23 H18 Cl F N8 O S | InChI=1S/C23H18ClFN8OS/c2 4-17-4-6-19(32-12-27-29-3 0-32)22(23(17)25)15-3-5-1 8(33(34)11-15)20(7-14-1-2 -14)31-10-16(8-28-31)21-9 -26-13-35-21/h3-6,8-14,20 H,1-2,7H2/t20-/m1/s1; UDBRBOWRYPFBIN-HXUWFJFHSA-N |
c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-] )C(CC4CC4)n5cc(cn5)c6cncs6; Fc1c(Cl)ccc( n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1 ncc(c1)c1cncs1; c1cc([n+](cc1c2c(ccc(c2F )Cl)n3cnnn3)[O-])[C@@H](CC4CC4)n5cc(cn5) c6cncs6; [O-][n+]1cc(ccc1[C@@H](CC2CC2)n 3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6; [O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4s cnc4)c5c(F)c(Cl)ccc5n6cnnn6 |
5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole |
| 36277 |  ORV CHEMBL4645542 |
2 | C30 H39 N3 O8 | InChI=1S/C30H39N3O8/c1-19 (31-29(36)38-2)27(35)33-2 4(16-21-11-7-4-8-12-21)25 (34)17-22(15-20-9-5-3-6-1 0-20)32-30(37)41-26-18-40 -28-23(26)13-14-39-28/h3- 12,19,22-26,28,34H,13-18H 2,1-2H3,(H,31,36)(H,32,37 )(H,33,35)/t19-,22-,23-,2 4-,25-,26-,28+/m0/s1; WENVZQWSDCKTAH-JKFUCYDASA-N |
COC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1) [C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3C O[C@H]4OCC[C@@H]34; CC(C(=O)NC(Cc1ccccc1 )C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC (=O)OC; C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[ C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@ @H]4[C@H]3CCO4)O)NC(=O)OC; c1(ccccc1)CC( C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)N C(=O)C(C)NC(OC)=O; COC(=O)N[CH](C)C(=O)N [CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC (=O)O[CH]3CO[CH]4OCC[CH]34 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 36278 |  ORW |
1 | C17 H27 N5 O2 | InChI=1S/C17H27N5O2/c1-13 (2)10-15(16(23)22(4)21(3) 12-18)20-17(24)19-11-14-8 -6-5-7-9-14/h5-9,12-13,15 ,18H,10-11H2,1-4H3,(H2,19 ,20,24)/b18-12-/t15-/m0/s 1; DZXGVGCCLHWTMQ-BRYHAGSVSA-N |
[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O) NCc1ccccc1; CC(C)C[C@H](NC(=O)NCc1ccccc1 )C(=O)N(C)N(C)C=N; CC(C)CC(C(=O)N(C)N(C) C=N)NC(=O)NCc1ccccc1; CC(C)C[CH](NC(=O)N Cc1ccccc1)C(=O)N(C)N(C)C=N |
1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea |
| 36279 |  ORX ZINC000002047626 |
9 | C13 H22 N3 O7 P | InChI=1S/C13H22N3O7P/c1-8 -12(17)10(6-16-11(13(18)1 9)3-2-4-14)9(5-15-8)7-23- 24(20,21)22/h5,11,16-17H, 2-4,6-7,14H2,1H3,(H,18,19 )(H2,20,21,22)/t11-/m1/s1; OIRLUPUXIUAWOH-LLVKDONJSA-N |
O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN ; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CCCN)C( O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH]( CCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O) O)CN[C@H](CCCN)C(=O)O)O; Cc1c(c(c(cn1)CO P(=O)(O)O)CNC(CCCN)C(=O)O)O |
N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE |
| 36280 |  ORZ |
2 | C23 H27 N2 O4 | InChI=1S/C23H27N2O4/c1-4- 16-13-25-11-9-18-17-7-5-6 -8-20(17)24-21(18)23(22(2 7)28-3,14-29-15(2)26)19(1 6)10-12-25/h4-8,13,19,24H ,9-12,14H2,1-3H3/q+1/b16- 4-/t19-,23-/m0/s1; YCGQEMDBJBQBSW-ISNKGDJGSA-N |
CC=C1C=[N+]2CCc3c4ccccc4[nH]c3C(C1CC2)(C OC(=O)C)C(=O)OC; COC(=O)[C@@]1(COC(C)=O) [C@H]\2CC[N@+](=CC\2=C/C)CCc3c1[nH]c4ccc cc34; COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](= CC2=CC)CCc3c1[nH]c4ccccc34; C/C=C\1/C=[N +]2CCc3c4ccccc4[nH]c3[C@@]([C@H]1CC2)(CO C(=O)C)C(=O)OC |
precondylocarpine acetate; methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate |
| 36281 |  OS |
12 | Os | InChI=1S/Os/q+3; XQBKHDFIPARBOX-UHFFFAOYSA-N |
[Os+3] | OSMIUM ION |
| 36282 |  OS0 |
2 | C4 H6 N2 O2 | InChI=1S/C4H6N2O2/c7-3-1- 2-5-4(8)6-3/h1-3,7H,(H2,5 ,6,8); DEAAWXYGBWCVJW-UHFFFAOYSA-N |
O[CH]1NC(=O)NC=C1; C1=CNC(=O)NC1O; O[C@H ]1NC(=O)NC=C1 |
4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one |
| 36283 |  OS1 |
2 | C24 H16 Cl N6 O3 Ru | InChI=1S/C17H10N4O2.C6H7N 2.CO.ClH.Ru/c18-7-5-9-12- 13(17(23)21-16(12)22)11-8 -3-1-2-4-10(8)20-15(11)14 (9)19-6-7;7-5-6-3-1-2-4-8 -6;1-2;;/h1-6H,(H4,18,19, 20,21,22,23);1-4,7H,5H2;; 1H;/q;-1;;;+3/p-2; QQATVYHLKPGOMG-UHFFFAOYSA-L |
Nc1cn2|[Ru]|3(Cl)(|[C-]#[O+])(NCc4ccccn| 34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78 ; c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC (=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC 4=O |
Ruthenium octasporine |
| 36284 |  OS2 CHEMBL4445386 |
3 | C15 H19 N5 O S | InChI=1S/C15H19N5OS/c1-2- 3-22-8-11-6-20(7-12(11)21 )5-10-4-17-14-13(10)18-9- 19-15(14)16/h1,4,9,11-12, 17,21H,3,5-8H2,(H2,16,18, 19)/t11-,12+/m1/s1; MQJBNGGMAUMWEV-NEPJUHHUSA-N |
C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncn c3N; Nc1ncnc2c(CN3C[CH](O)[CH](CSCC#C)C3 )c[nH]c12; C#CCSCC1CN(CC1O)Cc2c[nH]c3c2n cnc3N; OC3CN(Cc2c1ncnc(c1nc2)N)CC3CSCC#C ; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCC#C)C3 )c[nH]c12 |
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol |
| 36285 |  OS3 CHEMBL4465346 |
3 | C17 H23 N5 O S | InChI=1S/C17H23N5OS/c1-2- 3-4-5-24-10-13-8-22(9-14( 13)23)7-12-6-19-16-15(12) 20-11-21-17(16)18/h1,6,11 ,13-14,19,23H,3-5,7-10H2, (H2,18,20,21)/t13-,14+/m1 /s1; QRFSYYUFBJRRLL-KGLIPLIRSA-N |
Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCC#C)C3)c[ nH]c12; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSC CCC#C)C3)c[nH]c12; Nc1c2ncc(c2ncn1)CN3CC (O)C(C3)CSCCCC#C; C#CCCCSCC1CN(CC1O)Cc2c [nH]c3c2ncnc3N; C#CCCCSC[C@H]1CN(C[C@@H] 1O)Cc2c[nH]c3c2ncnc3N |
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol |
| 36286 |  OS4 |
1 | Os | InChI=1S/Os/q+4; OQURWADGXKZUIH-UHFFFAOYSA-N |
[Os+4] | OSMIUM 4+ ION |
| 36287 |  OS5 CHEMBL4439603 |
5 | C24 H30 N8 O S | InChI=1S/C24H30N8OS/c25-2 4-23-22(27-16-28-24)18(9- 26-23)11-31-12-19(21(33)1 4-31)15-34-8-4-7-20-13-32 (30-29-20)10-17-5-2-1-3-6 -17/h1-3,5-6,9,13,16,19,2 1,26,33H,4,7-8,10-12,14-1 5H2,(H2,25,27,28)/t19-,21 +/m1/s1; BROXRHKDLDDNBO-CTNGQTDRSA-N |
c1ccc(cc1)Cn2cc(nn2)CCCSCC3CN(CC3O)Cc4c[ nH]c5c4ncnc5N; c1ccc(cc1)Cn2cc(nn2)CCCSC [C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N; O C3CN(Cc1cnc2c1ncnc2N)CC3CSCCCc4nnn(c4)Cc 5ccccc5; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CS CCCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12; Nc1nc nc2c(CN3C[CH](O)[CH](CSCCCc4cn(Cc5ccccc5 )nn4)C3)c[nH]c12 |
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol |
| 36288 |  OS6 CHEMBL4450105 |
9 | C21 H32 N8 O S | InChI=1S/C21H32N8OS/c1-2- 3-6-29-11-17(26-27-29)5-4 -7-31-13-16-10-28(12-18(1 6)30)9-15-8-23-20-19(15)2 4-14-25-21(20)22/h8,11,14 ,16,18,23,30H,2-7,9-10,12 -13H2,1H3,(H2,22,24,25)/t 16-,18+/m1/s1; RDPUFRZNTDIFPO-AEFFLSMTSA-N |
CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3 c[nH]c4c3ncnc4N; CCCCn1cc(CCCSC[CH]2CN(C [CH]2O)Cc3c[nH]c4c(N)ncnc34)nn1; CCCCn1c c(CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c(N) ncnc34)nn1; CCCCn1cc(nn1)CCCSCC2CN(CC2O) Cc3c[nH]c4c3ncnc4N; OC1C(CN(C1)Cc3c2ncnc (N)c2nc3)CSCCCc4cn(nn4)CCCC |
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol |
| 36289 |  OS7 CHEMBL4535045 |
8 | C23 H22 N4 O | InChI=1S/C23H22N4O/c1-15- 10-23(25)27-21-12-17(5-7- 20(15)21)16-6-8-22(18(11- 16)13-24)28-14-19-4-2-3-9 -26-19/h2-12H,13-14,24H2, 1H3,(H2,25,27); IYSGQZIVZRDDAE-UHFFFAOYSA-N |
c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3cccc n3)CN)c4; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4 ccccn4)c(CN)c3; Cc1cc(nc2c1ccc(c2)c3ccc( c(c3)CN)OCc4ccccn4)N |
7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
| 36290 |  OS8 CHEMBL5076790 |
2 | C24 H30 N4 O3 | InChI=1S/C24H30N4O3/c1-16 -14-22(29)27-20-8-3-7-19( 23(20)26-16)24(30)25-11-5 -13-28-12-4-6-17-9-10-18( 31-2)15-21(17)28/h3,7-10, 15-16,26H,4-6,11-14H2,1-2 H3,(H,25,30)(H,27,29)/t16 -/m1/s1; XZQSPHYHBYGJPB-MRXNPFEDSA-N |
C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CC Cc4c3cc(cc4)OC; COc1ccc2CCCN(CCCNC(=O)c3 cccc4NC(=O)C[CH](C)Nc34)c2c1; COc1ccc2CC CN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34) c2c1; CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3C CCc4c3cc(cc4)OC |
(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide |
| 36291 |  OS9 CHEMBL5268017 |
1 | C29 H33 N3 O3 | InChI=1S/C29H33N3O3/c1-34 -26-12-5-6-13-27(26)35-25 -11-7-10-24(20-25)21-31-1 8-15-29(16-19-31)28(33)30 -22-32(29)17-14-23-8-3-2- 4-9-23/h2-13,20H,14-19,21 -22H2,1H3,(H,30,33); MRXASGVUQJVWMP-UHFFFAOYSA-N |
COc1ccccc1Oc2cccc(c2)CN3CCC4(CC3)C(=O)NC N4CCc5ccccc5; COc1ccccc1Oc2cccc(CN3CCC4( CC3)N(CCc5ccccc5)CNC4=O)c2 |
8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one; LMD-009 |
| 36292 |  OSA CHEMBL1092443 ZINC000005010475 |
2 | C20 H15 N3 O8 S2 | InChI=1S/C20H15N3O8S2/c21 -12-1-3-16-10(5-12)8-18(3 3(29,30)31)19(20(16)25)23 -22-13-2-4-15-11(6-13)7-1 4(9-17(15)24)32(26,27)28/ h1-9,24-25H,21H2,(H,26,27 ,28)(H,29,30,31)/b23-22+; ZSHNSNDVNDUHIM-GHVJWSGMSA-N |
c1cc2c(cc1N)cc(c(c2O)N=Nc3ccc4c(c3)cc(cc 4O)S(=O)(=O)O)S(=O)(=O)O; Nc1ccc2c(O)c(N =Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)c(cc2c 1)[S](O)(=O)=O; O=S(=O)(O)c4cc3cc(/N=N/c 2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O) c4; c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3 )cc(cc4O)S(=O)(=O)O)S(=O)(=O)O |
7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid |
| 36293 |  OSB DB02251 |
9 | C11 H10 O5 | InChI=1S/C11H10O5/c12-9(5 -6-10(13)14)7-3-1-2-4-8(7 )11(15)16/h1-4H,5-6H2,(H, 13,14)(H,15,16); YIVWQNVQRXFZJB-UHFFFAOYSA-N |
O=C(O)c1ccccc1C(=O)CCC(=O)O; OC(=O)CCC(= O)c1ccccc1C(O)=O; c1ccc(c(c1)C(=O)CCC(=O )O)C(=O)O |
2-SUCCINYLBENZOATE; O-SUCCINYLBENZOATE |
| 36294 |  OSC CHEMBL541173 ZINC000003952509 |
2 | C34 H44 N6 O5 | InChI=1S/C34H44N6O5/c35-3 4(36)39-16-14-24(21-39)13 -15-37-31(43)29-19-25-11- 12-26(41)20-28(25)40(29)3 3(45)27(17-22-7-3-1-4-8-2 2)38-32(44)30(42)18-23-9- 5-2-6-10-23/h1-10,14,25-3 0,41-42H,11-13,15-21H2,(H 3,35,36)(H,37,43)(H,38,44 )/t25-,26+,27+,28-,29-,30 +/m0/s1; YNAKQOCSOOKXJP-VCNFNBSBSA-N |
NC(=N)N1CC=C(CCNC(=O)[CH]2C[CH]3CC[CH](O )C[CH]3N2C(=O)[CH](Cc4ccccc4)NC(=O)[CH]( O)Cc5ccccc5)C1; c1ccc(cc1)CC(C(=O)N2C3CC (CCC3CC2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O )C(Cc5ccccc5)O; O=C(NC(C(=O)N1C3CC(O)CCC 3CC1C(=O)NCCC2=CCN(C(=[N@H])N)C2)Cc4cccc c4)C(O)Cc5ccccc5; NC(=N)N1CC=C(CCNC(=O)[ C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O) [C@@H](Cc4ccccc4)NC(=O)[C@H](O)Cc5ccccc5 )C1; c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@ H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N )N)O)NC(=O)[C@@H](Cc5ccccc5)O |
(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE; OSCILLARIN; (2R,3AS,6R,7AS)-6-HYDROXY-1-{(2R)-2-[(2R)-2-HYDROXY-3-PHENYL-PROPIONYLAMINO]-3-PHENYL-PROPIONYL}-OCTAHYDORO-INDOLE-2-CARBOXYLIC ACID [2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)-ETHYL]-AMIDE |
| 36295 |  OSD CHEMBL4465509 |
16 | C20 H23 N3 O | InChI=1S/C20H23N3O/c1-12( 2)24-19-7-5-14(9-16(19)11 -21)15-4-6-17-13(3)8-20(2 2)23-18(17)10-15/h4-10,12 H,11,21H2,1-3H3,(H2,22,23 ); RMUSFJBGBOTWMV-UHFFFAOYSA-N |
c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C) C)CN; Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC (C)C)N; CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N )nc3c2 |
7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine |
| 36296 |  OSE CHEMBL28885 DB03497 ZINC000004095907 |
1 | C3 H7 N O6 S | InChI=1S/C3H7NO6S/c4-2(3( 5)6)1-10-11(7,8)9/h2H,1,4 H2,(H,5,6)(H,7,8,9)/t2-/m 0/s1; LFZGUGJDVUUGLK-REOHCLBHSA-N |
C([C@@H](C(=O)O)N)OS(=O)(=O)O; O=S(=O)(O )OCC(C(=O)O)N; N[CH](CO[S](O)(=O)=O)C(O) =O; C(C(C(=O)O)N)OS(=O)(=O)O; N[C@@H](CO [S](O)(=O)=O)C(O)=O |
O-SULFO-L-SERINE |
| 36297 |  OSF |
19 | C8 H17 O4 S | InChI=1S/C8H18O4S/c1-2-3- 4-5-6-7-8-12-13(9,10)11/h 2-8H2,1H3,(H,9,10,11)/p-1; UZZYXUGECOQHPU-UHFFFAOYSA-M |
[O-]S(=O)(=O)OCCCCCCCC; CCCCCCCCOS(=O)(= O)[O-]; CCCCCCCCO[S]([O-])(=O)=O |
octyl sulfate |
| 36298 |  OSG CHEMBL4588416 |
12 | C20 H23 N3 O | InChI=1S/C20H23N3O/c1-3-8 -24-19-7-5-14(10-16(19)12 -21)15-4-6-17-13(2)9-20(2 2)23-18(17)11-15/h4-7,9-1 1H,3,8,12,21H2,1-2H3,(H2, 22,23); WKYWHPWEQYJUAT-UHFFFAOYSA-N |
c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C ; CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C; CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2 |
7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine |
| 36299 |  OSI |
1 | C20 H17 Cl N2 O2 | InChI=1S/C20H17ClN2O2/c1- 20(8-9-25-18-7-6-14(21)10 -16(18)20)19(24)23-17-12- 22-11-13-4-2-3-5-15(13)17 /h2-7,10-12H,8-9H2,1H3,(H ,23,24)/t20-/m1/s1; CPQDCUNLQZNEBN-HXUWFJFHSA-N |
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3c ccc4; Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2 ccccc21; C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3 cncc4ccccc34; CC1(CCOc2c1cc(cc2)Cl)C(=O) Nc3cncc4c3cccc4; C[C@]1(CCOc2ccc(Cl)cc12 )C(=O)Nc3cncc4ccccc34 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 36300 |  OSJ CHEMBL4464663 |
8 | C19 H21 N3 O | InChI=1S/C19H21N3O/c1-3-2 3-18-7-5-13(9-15(18)11-20 )14-4-6-16-12(2)8-19(21)2 2-17(16)10-14/h4-10H,3,11 ,20H2,1-2H3,(H2,21,22); AGWWSGQCTLAMKS-UHFFFAOYSA-N |
CCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2; NCc 1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N; CCOc1c cc(cc1CN)c2ccc3c(cc(nc3c2)N)C |
7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine |
| 36301 |  OSL ZINC000013532377 |
0 | C3 H6 O7 S | InChI=1S/C3H6O7S/c4-2(3(5 )6)1-10-11(7,8)9/h2,4H,1H 2,(H,5,6)(H,7,8,9)/t2-/m1 /s1; WBBSXOGBMVRPSH-UWTATZPHSA-N |
O[CH](CO[S](O)(=O)=O)C(O)=O; O[C@H](CO[S ](O)(=O)=O)C(O)=O; O=S(=O)(OCC(O)C(=O)O) O; C(C(C(=O)O)O)OS(=O)(=O)O; C([C@H](C(= O)O)O)OS(=O)(=O)O |
(2R)-2-hydroxy-3-(sulfooxy)propanoic acid |
| 36302 |  OSM |
49 | C H5 N O S | InChI=1S/CH5NOS/c2-1-4-3/ h4H,1-2H2; KONFWJXIYYGXOO-UHFFFAOYSA-N |
C(N)S=O; NC[S@H]=O; C(N)[S@@H]=O; O=SCN; NC[SH]=O |
1-(OXIDOSULFANYL)METHANAMINE |
| 36303 |  OSN CHEMBL5089448 |
7 | C25 H31 N3 O2 | InChI=1S/C25H31N3O2/c1-18 -16-24(29)27-22-11-6-9-20 (25(22)26-18)8-4-3-5-14-2 8-15-7-10-19-12-13-21(30- 2)17-23(19)28/h4,6,8-9,11 -13,17-18,26H,3,5,7,10,14 -16H2,1-2H3,(H,27,29)/b8- 4+/t18-/m1/s1; VBTDHMQUNCGCSZ-SBLNNXNXSA-N |
CC1CC(=O)Nc2cccc(c2N1)C=CCCCN3CCCc4c3cc( cc4)OC; COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O) C[CH](C)Nc34)c2c1; COc1ccc2CCCN(CCC/C=C/ c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1; C[C@@H ]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc (cc4)OC |
(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
| 36304 |  OSO |
2 | C23 H29 N2 O4 | InChI=1S/C23H28N2O4/c1-4- 16-13-25-11-9-18-17-7-5-6 -8-20(17)24-21(18)23(22(2 7)28-3,14-29-15(2)26)19(1 6)10-12-25/h4-8,19,24H,9- 14H2,1-3H3/p+1/b16-4-/t19 -,23-/m0/s1; ZNCUMLJVNWXVLT-ISNKGDJGSA-O |
CC=C1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@]([C @H]1CC2)(COC(=O)C)C(=O)OC; COC(=O)[C@@]1 (COC(C)=O)[C@H]2CC[N@@H+](CCc3c1[nH]c4cc ccc34)C\C2=C\C; COC(=O)[C]1(COC(C)=O)[CH ]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC; CC =C1C[NH+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC (=O)C)C(=O)OC |
stemmadenine acetate; methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate |
| 36305 |  OSP CHEMBL328560 DB08329 ZINC000000002119 |
1 | C10 H14 N2 O4 S2 | InChI=1S/C10H14N2O4S2/c11 -18(15,16)10-5-3-9(4-6-10 )12-7-1-2-8-17(12,13)14/h 3-6H,1-2,7-8H2,(H2,11,15, 16); HMHVCUVYZFYAJI-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O; c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N; O=S2 (=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2 |
SULTHIAME; 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE |
| 36306 |  OSQ |
7 | C22 H24 F2 N4 O2 | InChI=1S/C22H24F2N4O2/c1- 14-20(29)27-17-9-4-8-16(1 9(17)26-14)21(30)25-12-22 (23,24)13-28-11-5-7-15-6- 2-3-10-18(15)28/h2-4,6,8- 10,14,26H,5,7,11-13H2,1H3 ,(H,25,30)(H,27,29)/t14-/ m1/s1; HTEQIZSWLJNYLH-CQSZACIVSA-N |
C[C@H]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3 CCCc4ccccc34; C[C@@H]1C(=O)Nc2cccc(c2N1) C(=O)NCC(CN3CCCc4c3cccc4)(F)F; CC1C(=O)N c2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F) F; C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)C N3CCCc4ccccc34 |
(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide |
| 36307 |  OSR CHEMBL5639722 |
28 | C31 H35 Br N4 O4 | InChI=1S/C31H35BrN4O4/c1- 4-20(2)29-30(38)34(18-22- 11-14-26(40-3)25-8-6-5-7- 24(22)25)19-27-35(16-15-2 8(37)36(27)29)31(39)33-17 -21-9-12-23(32)13-10-21/h 5-14,20,27,29H,4,15-19H2, 1-3H3,(H,33,39)/t20-,27+, 29-/m0/s1; ZFXGQLLQQPADFS-XHGLXQHVSA-N |
CC[C@H](C)[C@@H]1N2[C@H](CN(Cc3ccc(OC)c4 ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc 5; CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc 3ccc(cc3)Br)Cc4ccc(c5c4cccc5)OC; CC[C@H] (C)[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)N Cc3ccc(cc3)Br)Cc4ccc(c5c4cccc5)OC; CC[CH ](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C 1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 |
(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide |
| 36308 |  OSS DB03187 ZINC000005975463 |
1 | C11 H23 N O3 S3 | InChI=1S/C11H23NO3S3/c12- 9-16-7-5-10(18-17-8-6-13) 3-1-2-4-11(14)15/h10,13H, 1-9,12H2,(H,14,15)/t10-/m 0/s1; BFRWEULQQALYNZ-JTQLQIEISA-N |
C(CCC(=O)O)C[C@@H](CCSCN)SSCCO; NCSCC[CH ](CCCCC(O)=O)SSCCO; C(CCC(=O)O)CC(CCSCN) SSCCO; NCSCC[C@H](CCCCC(O)=O)SSCCO; O=C( O)CCCCC(SSCCO)CCSCN |
6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID |
| 36309 |  OST DB08330 |
1 | C19 H18 O3 | InChI=1S/C19H18O3/c1-21-1 4-18(19(20)22-2)17-11-7-6 -10-16(17)13-12-15-8-4-3- 5-9-15/h3-14H,1-2H3/b13-1 2+,18-14+; VEJCBCPEURAYAS-MEAXDALNSA-N |
O=C(OC)\C(=C\OC)c2ccccc2\C=C\c1ccccc1; C O/C=C(/C(=O)OC)c1ccccc1\C=C\c2ccccc2; CO \C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC; CO C=C(C(=O)OC)c1ccccc1C=Cc2ccccc2; COC=C(c 1ccccc1C=Cc2ccccc2)C(=O)OC |
METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE |
| 36310 |  OSU DB03190 |
0 | C20 H36 O12 | InChI=1S/C20H36O12/c1-2-3 -4-5-6-7-13(23)29-9-12-15 (25)18(28)20(10-22,31-12) 32-19-17(27)16(26)14(24)1 1(8-21)30-19/h11-12,14-19 ,21-22,24-28H,2-10H2,1H3/ t11-,12-,14-,15-,16+,17-, 18+,19-,20+/m1/s1; AWSYOWHJNGZJGU-OASARBKBSA-N |
CCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C( O2)CO)O)O)O)O)O; CCCCCCCC(=O)OC[C@@H]1[C @H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C @H]([C@@H]([C@H](O2)CO)O)O)O)O)O; CCCCCC CC(=O)OC[CH]1O[C](CO)(O[CH]2O[CH](CO)[CH ](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCCCCC C(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO )[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H ]1O; O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C( O)C2O)CO)CCCCCCC |
N-OCTANOYLSUCROSE; N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE; SUCROSE MONOCAPROYLATE |
| 36311 |  OSV |
1 | C27 H31 F N4 O3 Ru S4 | InChI=1S/C20H16FN3O3.C6H1 2S3.CH2NS.Ru/c1-8(2)27-10 -3-4-13-11(6-10)14-16-15( 19(25)24-20(16)26)12-5-9( 21)7-22-17(12)18(14)23-13 ;1-2-8-5-6-9-4-3-7-1;2-1- 3;/h3-8,15H,1-2H3,(H3,22, 23,24,25,26);1-6H2;2-3H;/ q;;-1;/p+1/t15-;;;/m0.../ s1; ACWICPOFNPWEAE-CFZZCFLMSA-O |
CC(C)Oc1ccc2N3C4=C5N(C=C(F)C=C5[CH]6C(=O )NC(=O)C6=C4c2c1)[Ru]378(NC#[SH])[SH]9CC [SH]7CC[SH]8CC9; CC(C)Oc1ccc2c(c1)C3=C4C (C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9) NC#S)F)C(=O)NC4=O; CC(C)Oc1ccc2N3C4=C5N( C=C(F)C=C5[C@@H]6C(=O)NC(=O)C6=C4c2c1)[R u]378(NC#[SH])[SH]9CC[SH]7CC[SH]8CC9 |
RUTHENIUM OCTASPORINE 4 |
| 36312 |  OSW |
2 | C10 H16 B18 Co N2 O4 S2 | InChI=1S/2C5H8B9NO2S.Co/c 2*15-18(16,17)3-1-2-5-4-6 -8-7(5)11(5)9(4,5)10(4,6) 12(6,8)13(7,8,11)14(9,10, 11)12;/h2*1-3H2,(H2,15,16 ,17);/q;;+6; DXWIVFNCHIEEQK-UHFFFAOYSA-N |
B1234B567B189B212B33%10B454B656B787B911[ C+2]232([C+]4%105[Co]76121234B567B118B55 9B66%10B272B667B%1055B911B565[C+]318[C+2 ]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N; N[S](= O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6% 10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%1 0%13%17[B]29%11[B]3%15%17[Co]%14%16%18%1 9[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%2 3%27%28[B]%25%29%30[B]%21%26%31[B]%29%32 %33[B]%27%30%34[B]%18%32([B]%19%22%31%33 )[C++]%24%28%34CCC[S](N)(=O)=O |
Metala-Carborane di-propyl-sulfonamide |
| 36313 |  OSX |
1 | C24 H20 Cl F N8 O S | InChI=1S/C24H20ClFN8OS/c1 -14-24(36-13-27-14)17-9-2 9-32(10-17)21(8-15-2-3-15 )19-6-4-16(11-34(19)35)22 -20(33-12-28-30-31-33)7-5 -18(25)23(22)26/h4-7,9-13 ,15,21H,2-3,8H2,1H3/t21-/ m1/s1; LVFYRSDTZFJORD-OAQYLSRUSA-N |
Cc1c(scn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4 [O-])c5c(ccc(c5F)Cl)n6cnnn6; Cc1ncsc1c2c nn(c2)[C@H](CC3CC3)c4ccc(c[n+]4[O-])c5c( F)c(Cl)ccc5n6cnnn6; Cc1ncsc1c1cnn(c1)C(C C1CC1)c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1 cnnn1; Cc1ncsc1c2cnn(c2)[CH](CC3CC3)c4cc c(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Cc1 c(scn1)c2cnn(c2)[C@H](CC3CC3)c4ccc(c[n+] 4[O-])c5c(ccc(c5F)Cl)n6cnnn6 |
5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole |
| 36314 |  OSY CHEMBL4596884 |
4 | C17 H17 N3 | InChI=1S/C17H17N3/c1-11-8 -17(19)20-16-9-14(6-7-15( 11)16)13-4-2-12(10-18)3-5 -13/h2-9H,10,18H2,1H3,(H2 ,19,20); ODOXISOTMVXLOX-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N; NCc1cc c(cc1)c2ccc3c(C)cc(N)nc3c2; Cc1cc(N)nc2c c(ccc12)c3ccc(CN)cc3 |
7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine |
| 36315 |  OSZ CHEMBL4792880 |
1 | C32 H41 N7 O3 | InChI=1S/C32H41N7O3/c33-2 9-27(22-36-39(29)26-9-5-2 -6-10-26)31(41)35-21-24-1 1-14-25(15-12-24)30(40)37 -28(16-13-23-7-3-1-4-8-23 )32(42)38-19-17-34-18-20- 38/h2,5-6,9-12,14-15,22-2 3,28,34H,1,3-4,7-8,13,16- 21,33H2,(H,35,41)(H,37,40 )/t28-/m0/s1; ZUFIQRHWQJDYDJ-NDEPHWFRSA-N |
Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC 3CCCCC3)C(=O)N4CCNCC4)c5ccccc5; c1ccc(cc 1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC 4CCCCC4)C(=O)N5CCNCC5)N; Nc1n(ncc1C(=O)N Cc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O) N4CCNCC4)c5ccccc5; c1ccc(cc1)n2c(c(cn2)C (=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4) C(=O)N5CCNCC5)N |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 36316 |  OT0 |
1 | C22 H31 Cl2 N3 O3 | InChI=1S/C22H31Cl2N3O3/c1 -15-11-22(12-16(2)30-15,2 6-19-5-3-18(24)4-6-19)21( 29)27-9-7-17(8-10-27)14-2 5-20(28)13-23/h3-6,15-17, 26H,7-14H2,1-2H3,(H,25,28 )/t15-,16+,22+; VYYOGEHPAMZPSQ-BRLLKYFNSA-N |
CC1CC(CC(O1)C)(C(=O)N2CCC(CC2)CNC(=O)CCl )Nc3ccc(cc3)Cl; C[C@@H]1C[C@@](C[C@H](C) O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[C@@H](CC3)CN C(=O)CCl; C[C@@H]1CC(C[C@@H](O1)C)(C(=O) N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl; C[CH ]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3 CC[CH](CC3)CNC(=O)CCl |
2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide; RU78299 |
| 36317 |  OT1 |
1 | C19 H25 Cl Ir N2 | InChI=1S/C10H15.C9H10N2.C lH.Ir/c1-6-7(2)9(4)10(5)8 (6)3;1-10-7-11(2)9-6-4-3- 5-8(9)10;;/h1-5H3;3-6H,1- 2H3;1H;/q;;;+1/p-1; FEMPBTXZISTUOL-UHFFFAOYSA-M |
CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3c cccc23; CC12C3([Ir]145(C2(C4(C53C)C)C)(C 6=[N](c7ccccc7N6C)C)Cl)C |
2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole |
| 36318 |  OT2 |
3 | C20 H16 N2 O10 S3 | InChI=1S/C20H16N2O10S3/c2 3-16-7-5-11-9-12(33(24,25 )26)10-18(35(30,31)32)19( 11)20(16)22-21-15-6-8-17( 34(27,28)29)14-4-2-1-3-13 (14)15/h1-10,20-22H,(H,24 ,25,26)(H,27,28,29)(H,30, 31,32)/t20-/m0/s1; DOHFSJYQGWYGDQ-FQEVSTJZSA-N |
O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4 ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O ; c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc (cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O; O[S]( =O)(=O)c1cc2C=CC(=O)[C@H](NNc3ccc(c4cccc c34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O |
7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid |
| 36319 |  OT4 CHEMBL4595918 |
4 | C18 H19 N3 | InChI=1S/C18H19N3/c1-12-9 -18(20)21-17-11-15(5-6-16 (12)17)14-4-2-3-13(10-14) 7-8-19/h2-6,9-11H,7-8,19H 2,1H3,(H2,20,21); KEWLPOCHRHJHLA-UHFFFAOYSA-N |
NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C; Cc1 cc(nc2c1ccc(c2)c3cccc(c3)CCN)N; Cc1cc(N) nc2cc(ccc12)c3cccc(CCN)c3 |
7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine |
| 36320 |  OT5 CHEMBL3688339 |
3 | C25 H28 Cl2 N4 O2 | InChI=1S/C25H28Cl2N4O2/c1 -14(32)18-12-28-22-9-8-21 (16-10-19(26)25(33)20(27) 11-16)30-24(22)23(18)29-1 7-6-4-15(5-7-17)13-31(2)3 /h8-12,15,17,33H,4-7,13H2 ,1-3H3,(H,28,29)/t15-,17-; DKZYXHCYPUVGAF-JCNLHEQBSA-N |
CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c 4cc(c(c(c4)Cl)O)Cl; CN(C)C[CH]1CC[CH](CC 1)Nc2c(cnc3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4) C(C)=O; CN(C)C[C@@H]1CC[C@H](CC1)Nc2c(cn c3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)C(C)=O; C lc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN( C)C)CC3)cc(Cl)c4O |
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone; OTSSP167 |
| 36321 |  OT6 |
1 | C19 H21 Cl N4 O | InChI=1S/C19H21ClN4O/c1-1 3-4-5-22-10-17(13)24-18(2 5)8-14-6-15(20)9-16(7-14) 23-12-19(2,3)11-21/h4-7,9 -10,23H,8,12H2,1-3H3,(H,2 4,25); UELOTNVORDVOMK-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C #N; O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc (Cl)c1; Cc1ccncc1NC(=O)Cc2cc(Cl)cc(NCC(C )(C)C#N)c2 |
2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
| 36322 |  OT7 |
1 | C24 H21 Cl F N9 O | InChI=1S/C24H21ClFN9O/c1- 32-19(8-9-28-32)17-11-29- 33(12-17)22(10-15-2-3-15) 20-6-4-16(13-35(20)36)23- 21(34-14-27-30-31-34)7-5- 18(25)24(23)26/h4-9,11-15 ,22H,2-3,10H2,1H3/t22-/m1 /s1; DMOBSIYHBZREAR-JOCHJYFZSA-N |
Cn1nccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+] 4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(Cl)cc c(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1) n1cc(cn1)c1ccnn1C; Cn1c(ccn1)c2cnn(c2)[C @H](CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F) Cl)n6cnnn6; Cn1nccc1c2cnn(c2)[C@H](CC3CC 3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn 6; Cn1c(ccn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n +]4[O-])c5c(ccc(c5F)Cl)n6cnnn6 |
5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine |
| 36323 |  OT8 CHEMBL5090908 |
2 | C21 H16 F3 N5 O | InChI=1S/C21H16F3N5O/c22- 21(23,24)20-12-15(10-11-2 5-20)26-13-16-14-29(28-27 -16)17-6-8-19(9-7-17)30-1 8-4-2-1-3-5-18/h1-12,14H, 13H2,(H,25,26); QWSDRNYEGNKRGV-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c 4)C(F)(F)F; FC(F)(F)c1cc(NCc2cn(nn2)c3cc c(Oc4ccccc4)cc3)ccn1 |
~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
| 36324 |  OT9 |
1 | C22 H24 O4 | InChI=1S/C22H24O4/c1-25-1 8-11-5-9-17(15-18)10-6-12 -19-21(23)20(26-22(19)24) 14-13-16-7-3-2-4-8-16/h2- 5,7-9,11,15,20,23H,6,10,1 2-14H2,1H3/t20-/m1/s1; WQRHSASTQIHYTQ-HXUWFJFHSA-N |
COc1cccc(CCCC2=C(O)[C@@H](CCc3ccccc3)OC2 =O)c1; COc1cccc(c1)CCCC=1C(=O)OC(CCc2ccc cc2)C=1O; COc1cccc(c1)CCCC2=C([C@H](OC2= O)CCc3ccccc3)O; COc1cccc(CCCC2=C(O)[CH]( CCc3ccccc3)OC2=O)c1; COc1cccc(c1)CCCC2=C (C(OC2=O)CCc3ccccc3)O |
(5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one |
| 36325 |  OTA CHEMBL139393 DB03670 ZINC000001551920 |
16 | C10 H10 N2 O5 S | InChI=1S/C10H10N2O5S/c13- 7(10(16)17)12-8-6(9(14)15 )4-1-2-11-3-5(4)18-8/h11H ,1-3H2,(H,12,13)(H,14,15) (H,16,17); ZIBMATWHOAGNTR-UHFFFAOYSA-N |
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2; C1CNC c2c1c(c(s2)NC(=O)C(=O)O)C(=O)O; OC(=O)C( =O)Nc1sc2CNCCc2c1C(O)=O |
2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID |
| 36326 |  OTB |
0 | C5 H10 O3 | InChI=1/C5H10O3/c1-5(2,3) 8-4(6)7/h1-3H3,(H,6,7)/f/ h6H; XKXIQBVKMABYQJ-BRMMOCHJCR |
CC(C)(C)OC(=O)O; O=C(O)OC(C)(C)C; CC(C)( C)OC(O)=O |
TERTIARY-BUTOXYFORMIC ACID |
| 36327 |  OTC CHEMBL1517 DB00595 ZINC000095626782 |
1 | C22 H24 N2 O9 | InChI=1S/C22H24N2O9/c1-21 (32)7-5-4-6-8(25)9(7)15(2 6)10-12(21)17(28)13-14(24 (2)3)16(27)11(20(23)31)19 (30)22(13,33)18(10)29/h4- 6,12-14,17,25,27-29,32-33 H,1-3H3,(H2,23,31)/t12-,1 3-,14+,17+,21-,22+/m1/s1; IWVCMVBTMGNXQD-PXOLEDIWSA-N |
CC1(c2cccc(c2C(=O)C3=C(C4(C(C(C31)O)C(C( =C(C4=O)C(=O)N)O)N(C)C)O)O)O)O; C[C@]1(c 2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@ @H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C) O)O)O)O; CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H ]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)C(=O )c4c(O)cccc4[C@@]3(C)O; O=C3C2=C(O)C1(O) C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(O)(c4cccc( O)c34)C)C(=O)N; CN(C)[CH]1[CH]2[CH](O)[C H]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O )c4c(O)cccc4[C]3(C)O |
OXYTETRACYCLINE |
| 36328 |  OTD |
2 | C6 H6 N2 O5 | InChI=1S/C6H6N2O5/c9-4(10 )2-1-3(5(11)12)8-6(13)7-2 /h1-2H,(H,9,10)(H,11,12)( H2,7,8,13)/t2-/m1/s1; WVCOMWPLPGATRR-UWTATZPHSA-N |
C1=C(NC(=O)NC1C(=O)O)C(=O)O; OC(=O)[CH]1 NC(=O)NC(=C1)C(O)=O; OC(=O)[C@@H]1NC(=O) NC(=C1)C(O)=O; C1=C(NC(=O)N[C@H]1C(=O)O) C(=O)O; O=C(O)C1C=C(C(=O)O)NC(=O)N1 |
2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID; HDDP |
| 36329 |  OTE DB04233 |
0 | C16 H34 O5 | InChI=1/C16H34O5/c1-2-3-4 -5-6-7-9-18-11-13-20-15-1 6-21-14-12-19-10-8-17/h17 H,2-16H2,1H3; FEOZZFHAVXYAMB-UHFFFAOYAF |
O(CCCCCCCC)CCOCCOCCOCCO; CCCCCCCCOCCOCCO CCOCCO |
2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL |
| 36330 |  OTF CHEMBL3793392 ZINC000211282525 |
2 | C20 H15 F2 N3 O2 | InChI=1S/C20H15F2N3O2/c21 -15-10-23-18(24-11-15)14- 8-6-13(7-9-14)17-16(12-4- 2-1-3-5-12)20(17,22)19(26 )25-27/h1-11,16-17,27H,(H ,25,26)/t16-,17-,20+/m1/s 1; MREATSZIGJDNKB-HLIPFELVSA-N |
c1ccc(cc1)C2C(C2(C(=O)NO)F)c3ccc(cc3)c4n cc(cn4)F; ONC(=O)[C]1(F)[CH]([CH]1c2ccc( cc2)c3ncc(F)cn3)c4ccccc4; c1ccc(cc1)[C@@ H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4nc c(cn4)F; ONC(=O)[C@]1(F)[C@@H]([C@H]1c2c cc(cc2)c3ncc(F)cn3)c4ccccc4 |
(1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide |
| 36331 |  OTG ZINC000006523237 |
1 | C14 H19 N O6 | InChI=1S/C14H19NO6/c1-7-4 -2-3-5-8(7)13(19)15-10-12 (18)11(17)9(6-16)21-14(10 )20/h2-5,9-12,14,16-18,20 H,6H2,1H3,(H,15,19)/t9-,1 0-,11-,12-,14+/m1/s1; ZWRASUMSHKKCJN-SKENRDBWSA-N |
Cc1ccccc1C(=O)NC2C(C(C(OC2O)CO)O)O; Cc1c cccc1C(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[ CH]2O; O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2 C; Cc1ccccc1C(=O)N[C@H]2[C@@H](O)O[C@H]( CO)[C@@H](O)[C@@H]2O; Cc1ccccc1C(=O)N[C@ @H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O |
2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose; ORTHO-TOLUOYLGLUCOSAMINE; N-[(2-methylphenyl)carbonyl]-alpha-D-glucosamine; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucose; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-D-glucose; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-glucose |
| 36332 |  OTH |
0 | C6 H13 N O3 | InChI=1S/C6H13NO3/c1-4(10 -3)5(7-2)6(8)9/h4-5,7H,1- 3H3,(H,8,9)/t4-,5+/m1/s1; ZLRWZUVKLXZLRT-UHNVWZDZSA-N |
CC(C(C(=O)O)NC)OC; CN[C@@H]([C@@H](C)OC) C(O)=O; C[C@H]([C@@H](C(=O)O)NC)OC; O=C( O)C(NC)C(OC)C; CN[CH]([CH](C)OC)C(O)=O |
N,O-dimethyl-L-threonine |
| 36333 |  OTI CHEMBL5095071 DB21544 |
9 | C29 H35 F N6 O5 S | InChI=1S/C29H35FN6O5S/c1- 5-41-26(37)22-21(15-34-10 -11-36-18(13-34)14-35(28( 36)40)16-29(3,4)27(38)39) 32-24(25-31-9-12-42-25)33 -23(22)19-7-6-8-20(30)17( 19)2/h6-9,12,18,23H,5,10- 11,13-16H2,1-4H3,(H,32,33 )(H,38,39)/t18-,23?/m0/s1; YLJBFYZGSKMBEZ-XNUZUHMRSA-N |
CCOC(=O)C1=C(NC(=NC1c2cccc(c2C)F)c3nccs3 )CN4CCN5[C@@H](C4)CN(C5=O)CC(C)(C)C(=O)O ; CCOC(=O)C1=C(CN2CCN3[C@@H](C2)CN(CC(C) (C)C(O)=O)C3=O)NC(=N[C@H]1c4cccc(F)c4C)c 5sccn5; CCOC(=O)C1=C(CN2CCN3[CH](C2)CN(C C(C)(C)C(O)=O)C3=O)NC(=N[CH]1c4cccc(F)c4 C)c5sccn5; CCOC(=O)C1=C(NC(=NC1c2cccc(c2 C)F)c3nccs3)CN4CCN5C(C4)CN(C5=O)CC(C)(C) C(=O)O |
3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid; Linvencorvir |
| 36334 |  OTJ ZINC000263620622 |
1 | C22 H22 Cl2 N8 O3 | InChI=1S/C22H22Cl2N8O3/c1 -35-22(34)27-16-6-2-13(3- 7-16)20-21(24)29-18(28-20 )11-25-19(33)9-4-14-10-15 (23)5-8-17(14)32-12-26-30 -31-32/h2-3,5-8,10,12,30- 31H,4,9,11H2,1H3,(H,25,33 )(H,27,34)(H,28,29); JTVUNKGTKMZKDP-UHFFFAOYSA-N |
COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CC c3cc(ccc3N4C=NNN4)Cl)Cl; COC(=O)Nc1ccc(c c1)c2nc(CNC(=O)CCc3cc(Cl)ccc3N4NNN=C4)[n H]c2Cl; O=C(OC)Nc1ccc(cc1)c2nc(nc2Cl)CNC (=O)CCc3cc(Cl)ccc3N4C=NNN4 |
Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate |
| 36335 |  OTK CHEMBL372254 ZINC000028526508 |
1 | C26 H38 O10 | InChI=1S/C26H38O10/c1-8-1 0-19(28)34-18-12-24(6,36- 15(5)27)16-11-17(33-22(29 )13(3)9-2)14(4)20(16)21-2 6(18,32)25(7,31)23(30)35- 21/h9,14,16-18,20-21,31-3 2H,8,10-12H2,1-7H3/b13-9- /t14-,16-,17+,18-,20+,21- ,24-,25+,26+/m0/s1; INROUDCDOCKFKL-SBRSFKGSSA-N |
CCCC(=O)OC1CC(C2CC(C(C2C3C1(C(C(=O)O3)(C )O)O)C)OC(=O)C(=CC)C)(C)OC(=O)C; O=C3OC2 C1C(C)C(OC(=O)\C(=C/C)C)CC1C(OC(=O)C)(CC (OC(=O)CCC)C2(O)C3(O)C)C; CCCC(=O)O[C@H] 1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[ C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C )/C)(C)OC(=O)C; CCCC(=O)O[CH]1C[C](C)(OC (C)=O)[CH]2C[CH](OC(=O)C(C)=CC)[CH](C)[C H]2[CH]3OC(=O)[C](C)(O)[C]13O; CCCC(=O)O [C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC( =O)\C(C)=C/C)[C@H](C)[C@H]2[C@@H]3OC(=O) [C@@](C)(O)[C@@]13O |
(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate |
| 36336 |  OTL CHEMBL5208095 |
1 | C24 H21 Cl F N9 O | InChI=1S/C24H21ClFN9O/c1- 32-13-27-10-22(32)17-9-29 -33(11-17)21(8-15-2-3-15) 19-6-4-16(12-35(19)36)23- 20(34-14-28-30-31-34)7-5- 18(25)24(23)26/h4-7,9-15, 21H,2-3,8H2,1H3/t21-/m1/s 1; IQYPMNRUPQZQQR-OAQYLSRUSA-N |
Cn1cncc1c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O -])c5c(ccc(c5F)Cl)n6cnnn6; Cn1cncc1c2cnn (c2)[C@H](CC3CC3)c4ccc(c[n+]4[O-])c5c(cc c(c5F)Cl)n6cnnn6; Cn1cncc1c2cnn(c2)[C@H] (CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5 n6cnnn6; Cn1cncc1c2cnn(c2)[CH](CC3CC3)c4 ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; F c1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1) C(CC1CC1)n1cc(cn1)c1cncn1C |
5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine |
| 36337 |  OTM CHEMBL3753020 ZINC000043201615 |
1 | C26 H21 Cl N10 O2 | InChI=1S/C26H21ClN10O2/c2 7-20-9-12-23(37-16-28-33- 36-37)19(15-20)8-13-24(38 )30-22(14-17-4-2-1-3-5-17 )26(39)29-21-10-6-18(7-11 -21)25-31-34-35-32-25/h1- 13,15-16,22H,14H2,(H,29,3 9)(H,30,38)(H,31,32,34,35 )/b13-8+/t22-/m0/s1; YGQQLNQKNAXOKN-SYZXBLONSA-N |
c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)c3[nH]nnn3) NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl; Clc1ccc(n2 cnnn2)c(/C=C/C(=O)N[C@@H](Cc3ccccc3)C(=O )Nc4ccc(cc4)c5[nH]nnn5)c1; Clc1ccc(n2cnn n2)c(C=CC(=O)N[CH](Cc3ccccc3)C(=O)Nc4ccc (cc4)c5[nH]nnn5)c1; c1ccc(cc1)C[C@@H](C( =O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc (ccc4n5cnnn5)Cl; Clc2cc(c(n1nnnc1)cc2)\C =C\C(=O)NC(C(=O)Nc4ccc(c3nnnn3)cc4)Cc5cc ccc5 |
(2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide |
| 36338 |  OTN ZINC000004261921 |
2 | C12 H15 N O7 S | InChI=1S/C12H15NO7S/c14-5 -7-9(15)10(16)11(17)12(20 -7)21-8-4-2-1-3-6(8)13(18 )19/h1-4,7,9-12,14-17H,5H 2/t7-,9+,10+,11-,12+/m1/s 1; SZAOZNVCHHBUDZ-RUXWNWLUSA-N |
c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C @H]([C@H]([C@H](O2)CO)O)O)O; OC[C@H]1O[C @@H](Sc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H ](O)[C@H]1O; OC[CH]1O[CH](Sc2ccccc2[N+]( [O-])=O)[CH](O)[CH](O)[CH]1O; [O-][N+](= O)c2c(SC1OC(C(O)C(O)C1O)CO)cccc2; c1ccc( c(c1)[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O |
2-nitrophenyl 1-thio-beta-D-galactopyranoside; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol; 2-nitrophenyl 1-thio-beta-D-galactoside; 2-nitrophenyl 1-thio-D-galactoside; 2-nitrophenyl 1-thio-galactoside |
| 36339 |  OTO CHEMBL4753315 |
0 | C11 H8 N4 O | InChI=1S/C11H8N4O/c12-5-9 -8-6-13-4-3-10(8)15(14-9) 11(16)7-1-2-7/h3-4,6-7H,1 -2H2; DHYXAKZNFKQCOW-UHFFFAOYSA-N |
c1cncc2c1n(nc2C#N)C(=O)C3CC3; O=C(C1CC1) n2nc(C#N)c3cnccc23 |
1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile |
| 36340 |  OTP ZINC000008219112 |
18 | C40 H68 O7 P2 | InChI=1S/C40H68O7P2/c1-33 (2)17-10-18-34(3)19-11-20 -35(4)21-12-22-36(5)23-13 -24-37(6)25-14-26-38(7)27 -15-28-39(8)29-16-30-40(9 )31-32-46-49(44,45)47-48( 41,42)43/h17,19,21,23,25, 27,29,31H,10-16,18,20,22, 24,26,28,30,32H2,1-9H3,(H ,44,45)(H2,41,42,43)/b34- 19+,35-21+,36-23+,37-25+, 38-27+,39-29+,40-31+; IKKLDISSULFFQO-DJMILUHSSA-N |
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(= CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C) C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC( C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O) O[P](O)(O)=O; CC(=CCC/C(=C/CC/C(=C/CC/C( =C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@ ](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C) C; CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/ CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/ CO[P@@](O)(=O)O[P](O)(O)=O; O=P(O)(O)OP( =O)(O)OC/C=C(/CC\C=C(/C)CC\C=C(/C)CC\C=C (/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C (/C)C)C |
(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE; OCTAPRENYL PYROPHOSPHATE |
| 36341 |  OTQ |
2 | C14 H13 N3 O4 S | InChI=1S/C14H14N3O4S/c18- 13-11-7-3-1-2-4-9(7)22-14 (11)16-12(15-13)8-5-6-10( 21-8)17(19)20/h5-6,12,16, 19H,1-4H2,(H,15,18)/t12-/ m0/s1; MOKSPNCNIWVHBB-LBPRGKRZSA-N |
c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2 )[N+](=O)[O-]; [O-][N+](=O)c1oc(cc1)[C@H ]2NC(=O)c3c(N2)sc4CCCCc34; c1cc(oc1C2Nc3 c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[O-]; [O- ][N+](=O)c1oc(cc1)[CH]2NC(=O)c3c(N2)sc4C CCCc34 |
(2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| 36342 |  OTR CHEMBL1160703 ZINC000000388198 |
13 | C8 H11 N O2 | InChI=1S/C8H11NO2/c9-5-8( 11)6-1-3-7(10)4-2-6/h1-4, 8,10-11H,5,9H2/t8-/m0/s1; QHGUCRYDKWKLMG-QMMMGPOBSA-N |
NC[CH](O)c1ccc(O)cc1; c1cc(ccc1C(CN)O)O; NC[C@H](O)c1ccc(O)cc1; OC(c1ccc(O)cc1)C N; c1cc(ccc1[C@H](CN)O)O |
4-(2R-AMINO-1-HYDROXYETHYL)PHENOL; R-OCTOPAMINE |
| 36343 |  OTS CHEMBL1235033 ZINC000000000558 |
11 | C8 H11 N O2 | InChI=1S/C8H11NO2/c9-5-8( 11)6-1-3-7(10)4-2-6/h1-4, 8,10-11H,5,9H2/t8-/m1/s1; QHGUCRYDKWKLMG-MRVPVSSYSA-N |
NC[CH](O)c1ccc(O)cc1; c1cc(ccc1C(CN)O)O; NC[C@@H](O)c1ccc(O)cc1; c1cc(ccc1[C@@H] (CN)O)O; OC(c1ccc(O)cc1)CN |
4-(2S-AMINO-1-HYDROXYETHYL)PHENOL; S-OCTOPAMINE |
| 36344 |  OTT CHEMBL1208330 ZINC000001733900 |
0 | C8 H10 O2 | InChI=1S/C8H10O2/c1-2-3-4 -5-6-7-8(9)10/h2-7H,1H3,( H,9,10)/b3-2+,5-4+,7-6+; IAAPVNQZSBLWKH-ICDJNDDTSA-N |
CC=CC=CC=CC(O)=O; O=C(O)\C=C\C=C\C=C\C; C/C=C/C=C/C=C/C(O)=O; C/C=C/C=C/C=C/C(=O )O; CC=CC=CC=CC(=O)O |
(2E,4E,6E)-octa-2,4,6-trienoic acid; 2,4,6-OCTATRIENOIC ACID |
| 36345 |  OTU ZINC000033358936 |
1 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 4(16)7(18)11(5(17)2-14)23 -12-10(21)9(20)8(19)6(3-1 5)22-12/h4,6-16,18-21H,1- 3H2/t4-,6-,7-,8-,9+,10-,1 1-,12-/m1/s1; RULSWEULPANCDV-PIXUTMIVSA-N |
OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH] (O)[CH](O)[CH]1O)C(=O)CO; OC[C@@H](O)[C@ @H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C @H](O)[C@H]1O)C(=O)CO; C(C1C(C(C(C(O1)OC (C(C(CO)O)O)C(=O)CO)O)O)O)O; C([C@@H]1[C @H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H] ([C@@H](CO)O)O)C(=O)CO)O)O)O)O; O=C(C(OC 1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO |
3-O-alpha-D-glucopyranosyl-D-fructose; 3-O-alpha-D-glucosyl-D-fructose; 3-O-D-glucosyl-D-fructose; 3-O-glucosyl-D-fructose |
| 36346 |  OTV |
1 | C18 H17 Cl F3 N3 O | InChI=1S/C18H17ClF3N3O/c1 -10-2-3-23-9-16(10)25-17( 26)6-11-4-12(19)7-13(5-11 )24-15-8-14(15)18(20,21)2 2/h2-5,7,9,14-15,24H,6,8H 2,1H3,(H,25,26)/t14-,15+/ m1/s1; ROXLXWPALVCDCD-CABCVRRESA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[C@H]3C[C@H] 3C(F)(F)F)c2; O=C(Nc1cnccc1C)Cc1cc(NC2CC 2C(F)(F)F)cc(Cl)c1; Cc1ccncc1NC(=O)Cc2cc (cc(c2)Cl)N[C@H]3C[C@H]3C(F)(F)F; Cc1ccn cc1NC(=O)Cc2cc(Cl)cc(N[CH]3C[CH]3C(F)(F) F)c2; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3C C3C(F)(F)F |
2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 36347 |  OTW |
1 | C10 H11 N3 | InChI=1S/C10H11N3/c1-6-4- 10(12)13-9-3-2-7(11)5-8(6 )9/h2-5H,11H2,1H3,(H2,12, 13); RTLBVOMPQYBAQP-UHFFFAOYSA-N |
n1c(cc(c2cc(ccc12)N)C)N; Cc1cc(nc2c1cc(c c2)N)N; Cc1cc(N)nc2ccc(N)cc12 |
4-methylquinoline-2,6-diamine |
| 36348 |  OTX CHEMBL5170592 |
1 | C23 H18 Cl2 F3 N9 O2 | InChI=1S/C23H18Cl2F3N9O2/ c1-34-19(9-29-32-34)14-8- 30-35(10-14)16(6-7-39-23( 27)28)17-4-2-13(11-37(17) 38)21-18(5-3-15(24)22(21) 26)36-12-20(25)31-33-36/h 2-5,8-12,16,23H,6-7H2,1H3 /t16-/m1/s1; BETDGMHNHGHORO-MRXNPFEDSA-N |
Cn1nncc1c2cnn(c2)[C@H](CCOC(F)F)c3ccc(c[ n+]3[O-])c4c(F)c(Cl)ccc4n5cc(Cl)nn5; Cn1 c(cnn1)c2cnn(c2)[C@H](CCOC(F)F)c3ccc(c[n +]3[O-])c4c(ccc(c4F)Cl)n5cc(nn5)Cl; Cn1n ncc1c2cnn(c2)[CH](CCOC(F)F)c3ccc(c[n+]3[ O-])c4c(F)c(Cl)ccc4n5cc(Cl)nn5; Cn1c(cnn 1)c2cnn(c2)C(CCOC(F)F)c3ccc(c[n+]3[O-])c 4c(ccc(c4F)Cl)n5cc(nn5)Cl; Clc1cn(nn1)c1 ccc(Cl)c(F)c1c1c[n+]([O-])c(cc1)C(CCOC(F )F)n1cc(cn1)c1cnnn1C |
2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine |
| 36349 |  OTY ZINC000002045187 |
2 | C9 H11 N O4 | InChI=1S/C9H11NO4/c10-7(9 (13)14)3-5-1-2-6(11)4-8(5 )12/h1-2,4,7,11-12H,3,10H 2,(H,13,14)/t7-/m0/s1; UTIMIHJZXIJZKZ-ZETCQYMHSA-N |
c1cc(c(cc1O)O)CC(C(=O)O)N; N[C@@H](Cc1cc c(O)cc1O)C(O)=O; O=C(O)C(N)Cc1ccc(O)cc1O ; c1cc(c(cc1O)O)C[C@@H](C(=O)O)N; N[CH]( Cc1ccc(O)cc1O)C(O)=O |
2-hydroxy-L-tyrosine |
| 36350 |  OTZ |
0 | C8 H7 N3 O3 S | InChI=1S/C8H7N3O3S/c9-1-6 -10-4(2-14-6)7-11-5(3-15- 7)8(12)13/h2-3H,1,9H2,(H, 12,13); HIYXIJXAZXCAKM-UHFFFAOYSA-N |
c1c(nc(o1)CN)c2nc(cs2)C(=O)O; NCc1occ(n1 )c2scc(n2)C(O)=O |
2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid |
| 36351 |  OU0 |
1 | C10 H13 N O3 | InChI=1S/C10H13NO3/c1-6(2 )8-5-9(12)14-11(8)10(13)7 -3-4-7/h5-7H,3-4H2,1-2H3; MMPUYLPCMYQJRV-UHFFFAOYSA-N |
CC(C)C1=CC(=O)ON1C(=O)C2CC2 | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one |
| 36352 |  OU1 CHEMBL4449970 |
8 | C21 H23 N3 O | InChI=1S/C21H23N3O/c1-13- 8-21(23)24-19-10-16(4-6-1 8(13)19)15-5-7-20(17(9-15 )11-22)25-12-14-2-3-14/h4 -10,14H,2-3,11-12,22H2,1H 3,(H2,23,24); YJCSKOOAQMAARS-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4) N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CC4)c(C N)c3; c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3 )OCC4CC4)CN |
7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine |
| 36353 |  OU2 CHEMBL4756586 |
1 | C30 H38 N6 O3 | InChI=1S/C30H38N6O3/c1-2- 32-30(39)26(18-15-21-9-5- 3-6-10-21)35-28(37)23-16- 13-22(14-17-23)19-33-29(3 8)25-20-34-36(27(25)31)24 -11-7-4-8-12-24/h4,7-8,11 -14,16-17,20-21,26H,2-3,5 -6,9-10,15,18-19,31H2,1H3 ,(H,32,39)(H,33,38)(H,35, 37)/t26-/m0/s1; WJTJZDOMFKCYEA-SANMLTNESA-N |
CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC( =O)c3cnn(c3N)c4ccccc4)cc2; CCNC(=O)[C@H] (CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn (c3N)c4ccccc4; CCNC(=O)C(CCC1CCCCC1)NC(= O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4; C CNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(CNC( =O)c3cnn(c3N)c4ccccc4)cc2 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 36354 |  OU3 CHEMBL5406059 |
1 | C19 H19 F N2 O4 | InChI=1S/C19H19FN2O4/c1-9 (2)6-15-21-13-8-14(23)17( 24)18(25)16(13)19(26)22(1 5)11-4-5-12(20)10(3)7-11/ h4-5,7-9,23-25H,6H2,1-3H3; FZPIZTYHLRGZPR-UHFFFAOYSA-N |
CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc( F)c(C)c3; Cc1cc(ccc1F)N2C(=Nc3cc(c(c(c3C 2=O)O)O)O)CC(C)C |
3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one |
| 36355 |  OU4 CHEMBL4555914 |
8 | C21 H20 N4 O2 | InChI=1S/C21H20N4O2/c1-13 -6-21(23)25-19-8-15(2-4-1 8(13)19)14-3-5-20(16(7-14 )9-22)27-11-17-10-26-12-2 4-17/h2-8,10,12H,9,11,22H 2,1H3,(H2,23,25); JUUSNAFIFJKARW-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn 4)N; c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3n coc3)c(CN)c4; Cc1cc(N)nc2cc(ccc12)c3ccc( OCc4cocn4)c(CN)c3 |
7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
| 36356 |  OU5 CHEMBL4650334 DB18824 |
2 | C20 H24 F2 N4 O3 | InChI=1S/C20H24F2N4O3/c1- 12-11-25(6-7-26(12)16-9-1 4(21)8-15(22)10-16)17(27) 4-5-20(13-2-3-13)18(28)23 -19(29)24-20/h8-10,12-13H ,2-7,11H2,1H3,(H2,23,24,2 8,29)/t12-,20-/m0/s1; CMLVKUWQFZQPPS-YUNKPMOVSA-N |
C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@ ]3(C(=O)NC(=O)N3)C4CC4; C[CH]1CN(CCN1c2c c(F)cc(F)c2)C(=O)CC[C]3(NC(=O)NC3=O)C4CC 4; C[C@H]1CN(CCN1c2cc(F)cc(F)c2)C(=O)CC[ C@]3(NC(=O)NC3=O)C4CC4; CC1CN(CCN1c2cc(c c(c2)F)F)C(=O)CCC3(C(=O)NC(=O)N3)C4CC4 |
(5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione |
| 36357 |  OU6 |
4 | C24 H25 N5 O5 S | InChI=1S/C24H25N5O5S/c1-1 5-7-16-9-18(11-25)27-24(1 6)22(8-15)35(31,32)28(2)1 2-23(30)26-17-3-4-20-21(1 0-17)34-6-5-29(20)19-13-3 3-14-19/h3-4,7-10,19,27H, 5-6,12-14H2,1-2H3,(H,26,3 0); LICCSNABLLQTEJ-UHFFFAOYSA-N |
Cc1cc2cc([nH]c2c(c1)S(=O)(=O)N(C)CC(=O)N c3ccc4c(c3)OCCN4C5COC5)C#N; Cc1cc(c2[NH] c(C#N)cc2c1)S(=O)(=O)N(C)CC(=O)Nc1cc2OCC N(C3COC3)c2cc1; CN(CC(=O)Nc1ccc2N(CCOc2c 1)C3COC3)[S](=O)(=O)c4cc(C)cc5cc([nH]c45 )C#N |
N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide |
| 36358 |  OU7 CHEMBL4534970 |
4 | C21 H20 N4 O S | InChI=1S/C21H20N4OS/c1-13 -6-21(23)25-19-8-15(2-4-1 8(13)19)14-3-5-20(16(7-14 )9-22)26-11-17-10-24-12-2 7-17/h2-8,10,12H,9,11,22H 2,1H3,(H2,23,25); SHBUNLMNTXCFTE-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs 4)N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4scnc4 )c(CN)c3; c21nc(N)cc(c1ccc(c2)c4ccc(OCc3 cncs3)c(CN)c4)C |
7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
| 36359 |  OU9 |
1 | C23 H46 N O7 P | InChI=1S/C23H46NO7P/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-23(26)31-22( 20-25)21-30-32(27,28)29-1 9-18-24/h9-10,22,25H,2-8, 11-21,24H2,1H3,(H,27,28)/ b10-9-/t22-/m0/s1; NOVZJYYJYIFXJC-DYYZXQNHSA-N |
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COP( =O)(O)OCCN; CCCCCCCCC=CCCCCCCCC(=O)OC(CO )COP(=O)(O)OCCN; CCCCCCCCC=CCCCCCCCC(=O) O[CH](CO)CO[P](O)(=O)OCCN; CCCCCCCC\C=C/ CCCCCCCC(=O)O[C@@H](CO)CO[P](O)(=O)OCCN |
[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
| 36360 |  OUA CHEMBL4598341 |
12 | C16 H16 N4 | InChI=1S/C16H16N4/c1-10-4 -16(18)20-15-6-12(2-3-14( 10)15)13-5-11(7-17)8-19-9 -13/h2-6,8-9H,7,17H2,1H3, (H2,18,20); HOBAPTQHAPAEBE-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N; Cc3c2c cc(c1cc(CN)cnc1)cc2nc(c3)N; Cc1cc(N)nc2c c(ccc12)c3cncc(CN)c3 |
7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine |
| 36361 |  OUB CHEMBL493892 ZINC000040430121 |
1 | C9 H9 N3 O5 | InChI=1S/C9H9N3O5/c10-5(8 (14)15)1-12-6-3-17-2-4(6) 7(13)11-9(12)16/h2-3,5H,1 ,10H2,(H,14,15)(H,11,13,1 6)/t5-/m0/s1; CAXDSUJFJPXUEH-YFKPBYRVSA-N |
c1c2c(co1)N(C(=O)NC2=O)CC(C(=O)O)N; N[CH ](CN1C(=O)NC(=O)c2cocc12)C(O)=O; N[C@@H] (CN1C(=O)NC(=O)c2cocc12)C(O)=O; c1c2c(co 1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N |
(S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione |
| 36362 |  OUC CHEMBL4437078 |
1 | C20 H22 N2 O4 | InChI=1S/C20H22N2O4/c1-11 -7-15(24)8-12(2)16(11)10- 18-20(26)21-17(19(25)22-1 8)9-13-3-5-14(23)6-4-13/h 3-8,17-18,23-24H,9-10H2,1 -2H3,(H,21,26)(H,22,25)/t 17-,18-/m0/s1; QLYLWUHZTOECNX-ROUUACIJSA-N |
Cc1cc(cc(c1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3 )O)C)O; Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C( =O)N2)Cc3ccc(cc3)O)C)O; Cc1cc(O)cc(C)c1C [CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O; Cc1c c(O)cc(C)c1C[C@@H]2NC(=O)[C@H](Cc3ccc(O) cc3)NC2=O |
(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
| 36363 |  OUD |
0 | C5 H10 N2 O4 | InChI=1S/C5H10N2O4/c6-3(1 -4(8)9)2-7-5(10)11/h3,7H, 1-2,6H2,(H,8,9)(H,10,11)/ t3-/m0/s1; KNPMIAWBJUCARG-VKHMYHEASA-N |
N[CH](CNC(O)=O)CC(O)=O; C([C@@H](CNC(=O) O)N)C(=O)O; C(C(CNC(=O)O)N)C(=O)O; N[C@H ](CNC(O)=O)CC(O)=O |
(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid |
| 36364 |  OUE |
0 | C6 H12 N2 O4 | InChI=1S/C6H12N2O4/c7-4(1 -2-5(9)10)3-8-6(11)12/h4, 8H,1-3,7H2,(H,9,10)(H,11, 12)/t4-/m0/s1; OFEONCRDIBQIKF-BYPYZUCNSA-N |
C(CC(=O)O)C(CNC(=O)O)N; C(CC(=O)O)[C@@H] (CNC(=O)O)N; N[C@@H](CCC(O)=O)CNC(O)=O; N[CH](CCC(O)=O)CNC(O)=O |
(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid |
| 36365 |  OUF ZINC000006932475 |
1 | C22 H27 N3 O4 | InChI=1S/C22H27N3O4/c1-16 (2)28-13-7-11-25(14-17-8- 6-12-29-17)22(27)23-20-15 -24(3)21(26)19-10-5-4-9-1 8(19)20/h4-6,8-10,12,15-1 6H,7,11,13-14H2,1-3H3,(H, 23,27); AWGPPDHJJBIGAJ-UHFFFAOYSA-N |
CC(C)OCCCN(Cc1occc1)C(=O)NC2=CN(C)C(=O)c 3ccccc23; CC(C)OCCCN(Cc1ccco1)C(=O)NC2=C N(C(=O)c3c2cccc3)C; O=C1c2ccccc2C(=CN1C) NC(=O)N(CCCOC(C)C)Cc1ccco1 |
N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea |
| 36366 |  OUG CHEMBL4598339 |
8 | C17 H17 N3 | InChI=1S/C17H17N3/c1-11-7 -17(19)20-16-9-14(5-6-15( 11)16)13-4-2-3-12(8-13)10 -18/h2-9H,10,18H2,1H3,(H2 ,19,20); IYZDGTYWMCMPLR-UHFFFAOYSA-N |
c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3; Cc 1cc(N)nc2cc(ccc12)c3cccc(CN)c3; Cc1cc(nc 2c1ccc(c2)c3cccc(c3)CN)N |
7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine |
| 36367 |  OUH |
0 | C7 H12 N4 O2 | InChI=1S/C7H12N4O2/c8-5(2 -10-7(12)13)1-6-3-9-4-11- 6/h3-5,10H,1-2,8H2,(H,9,1 1)(H,12,13)/t5-/m0/s1; ARHIBHLYEPIGGS-YFKPBYRVSA-N |
c1c([nH]cn1)C[C@@H](CNC(=O)O)N; N[CH](CN C(O)=O)Cc1[nH]cnc1; c1c([nH]cn1)CC(CNC(= O)O)N; N[C@H](CNC(O)=O)Cc1[nH]cnc1 |
[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid |
| 36368 |  OUI |
0 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c1-3-5 (2)6(8)4-9-7(10)11/h5-6,9 H,3-4,8H2,1-2H3,(H,10,11) /t5-,6+/m0/s1; XHOVPUFCTDLSHX-NTSWFWBYSA-N |
CCC(C)C(CNC(=O)O)N; CC[CH](C)[CH](N)CNC( O)=O; CC[C@H](C)[C@@H](CNC(=O)O)N; CC[C@ H](C)[C@H](N)CNC(O)=O |
[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid |
| 36369 |  OUJ CHEMBL4465991 |
4 | C21 H20 N4 O S | InChI=1S/C21H20N4OS/c1-13 -6-21(23)25-19-8-15(2-4-1 8(13)19)14-3-5-20(16(7-14 )9-22)26-10-17-11-27-12-2 4-17/h2-8,11-12H,9-10,22H 2,1H3,(H2,23,25); QMLWVSKDYLAYRJ-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn 4)N; c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc (nc3c4)N)C; Cc1cc(N)nc2cc(ccc12)c3ccc(OC c4cscn4)c(CN)c3 |
7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
| 36370 |  OUK |
0 | C7 H18 N3 O2 | InChI=1S/C7H17N3O2/c8-4-2 -1-3-6(9)5-10-7(11)12/h6, 10H,1-5,8-9H2,(H,11,12)/p +1/t6-/m0/s1; PKUJRMQNFKAGAN-LURJTMIESA-O |
N[C@@H](CCCC[NH3+])CNC(O)=O; C(CC[NH3+]) C[C@@H](CNC(=O)O)N; C(CC[NH3+])CC(CNC(=O )O)N; N[CH](CCCC[NH3+])CNC(O)=O |
[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium |
| 36371 |  OUL CHEMBL1438938 ZINC000000235625 |
2 | C14 H12 N2 O3 | InChI=1S/C14H12N2O3/c15-1 3(17)9-1-5-11(6-2-9)19-12 -7-3-10(4-8-12)14(16)18/h 1-8H,(H2,15,17)(H2,16,18); XZRCQWLPMXFGHE-UHFFFAOYSA-N |
NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1; c1cc( ccc1C(=O)N)Oc2ccc(cc2)C(=O)N |
4-(4-aminocarbonylphenoxy)benzamide; OUL35 |
| 36372 |  OUM CHEMBL4473567 |
6 | C25 H22 N4 O | InChI=1S/C25H22N4O/c1-16- 10-25(28)29-23-12-20(6-8- 22(16)23)19-7-9-24(21(11- 19)14-27)30-15-18-4-2-17( 13-26)3-5-18/h2-12H,14-15 ,27H2,1H3,(H2,28,29); PKODNLRUHCVLDH-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc( cc4)C#N)N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc 4ccc(cc4)C#N)c(CN)c3; c21c(c(cc(n1)N)C)c cc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N |
4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile |
| 36373 |  OUO ZINC000013549583 |
8 | C6 H10 O5 | InChI=1S/C6H10O5/c7-3-4(6 (10)11)1-2-5(8)9/h4,7H,1- 3H2,(H,8,9)(H,10,11)/t4-/ m1/s1; XPQIPNORJZZYPV-SCSAIBSYSA-N |
C(CC(=O)O)[C@H](CO)C(=O)O; OC[C@@H](CCC( O)=O)C(O)=O; OC(=O)C(CCC(O)=O)CO; C(CC(= O)O)C(CO)C(=O)O; OC[CH](CCC(O)=O)C(O)=O |
(2R)-2-(hydroxymethyl)pentanedioic acid |
| 36374 |  OUP CHEMBL4521790 |
8 | C22 H25 N3 O | InChI=1S/C22H25N3O/c1-14- 9-22(24)25-20-11-17(5-7-1 9(14)20)16-6-8-21(18(10-1 6)12-23)26-13-15-3-2-4-15 /h5-11,15H,2-4,12-13,23H2 ,1H3,(H2,24,25); COAPMJAWQNAPQG-UHFFFAOYSA-N |
Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CCC4)c(CN) c3; c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4C CC4)CN)N; Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)C N)OCC4CCC4)N |
7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine |
| 36375 |  OUQ ZINC000036673024 |
1 | C12 H16 F N O | InChI=1S/C12H16FNO/c1-12( 2)8-15-11(7-14-12)9-4-3-5 -10(13)6-9/h3-6,11,14H,7- 8H2,1-2H3/t11-/m0/s1; MVNHMIHGVNHOFP-NSHDSACASA-N |
CC1(CO[C@@H](CN1)c2cccc(c2)F)C; CC1(COC( CN1)c2cccc(c2)F)C; CC1(C)CO[C@@H](CN1)c2 cccc(F)c2; CC1(C)CO[CH](CN1)c2cccc(F)c2 |
(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine |
| 36376 |  OUR |
0 | C7 H18 N5 O2 | InChI=1S/C7H17N5O2/c8-5(4 -12-7(13)14)2-1-3-11-6(9) 10/h5,12H,1-4,8H2,(H,13,1 4)(H4,9,10,11)/p+1/t5-/m0 /s1; BPSMJLMFAYHPDH-YFKPBYRVSA-O |
N[CH](CCCNC(N)=[NH2+])CNC(O)=O; N[C@@H]( CCCNC(N)=[NH2+])CNC(O)=O; C(CC(CNC(=O)O) N)CNC(=[NH2+])N; C(C[C@@H](CNC(=O)O)N)CN C(=[NH2+])N |
[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium |
| 36377 |  OUS CHEMBL4576585 |
10 | C23 H22 N4 O | InChI=1S/C23H22N4O/c1-15- 9-23(25)27-21-11-18(4-6-2 0(15)21)17-5-7-22(19(10-1 7)12-24)28-14-16-3-2-8-26 -13-16/h2-11,13H,12,14,24 H2,1H3,(H2,25,27); RSZQDXJFSPTWRD-UHFFFAOYSA-N |
Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccn c4)N; c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc 4cnccc4)CN)N; Cc1cc(N)nc2cc(ccc12)c3ccc( OCc4cccnc4)c(CN)c3 |
7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
| 36378 |  OUT CHEMBL125278 DB04261 ZINC000008383199 |
0 | C H3 N O2 | InChI=1S/CH3NO2/c2-1(3)4/ h2H2,(H,3,4); KXDHJXZQYSOELW-UHFFFAOYSA-N |
NC(O)=O; O=C(O)N; C(=O)(N)O | CARBAMIC ACID |
| 36379 |  OUU |
3 | C11 H19 N O7 | InChI=1S/C11H19NO7/c1-5(1 3)12-2-3-19-10-8(11(17)18 )6(14)4-7(15)9(10)16/h6-1 0,14-16H,2-4H2,1H3,(H,12, 13)(H,17,18)/t6-,7-,8-,9+ ,10+/m0/s1; PCCLVLLYDLIJIM-RXKWGBCNSA-N |
CC(=O)NCCOC1C(C(CC(C1O)O)O)C(=O)O; CC(=O )NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O )=O; CC(=O)NCCO[C@@H]1[C@H]([C@H](C[C@@H ]([C@H]1O)O)O)C(=O)O; CC(=O)NCCO[C@H]1[C @H](O)[C@@H](O)C[C@H](O)[C@@H]1C(O)=O |
(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid |
| 36380 |  OUW CHEMBL4593381 ZINC000035673683 |
2 | C8 H11 N3 O | InChI=1S/C8H11N3O/c1-9-6- 3-4-11-7(5-6)8(12)10-2/h3 -5H,1-2H3,(H,9,11)(H,10,1 2); YKMVOSKHDGRIPD-UHFFFAOYSA-N |
CNC(=O)c1cc(NC)ccn1; CNc1ccnc(c1)C(=O)NC | ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide |
| 36381 |  OUY CHEMBL4072381 |
1 | C20 H18 F2 N4 O5 | InChI=1S/C20H18F2N4O5/c1- 31-15(27)5-2-10-6-13-17(2 3)16(20(29)26(30)18(13)24 -8-10)19(28)25-9-11-3-4-1 2(21)7-14(11)22/h3-4,6-8, 30H,2,5,9,23H2,1H3,(H,25, 28); JVWFVALMCGSXOC-UHFFFAOYSA-N |
COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)N Cc3ccc(cc3F)F)O; COC(=O)CCc1cnc2N(O)C(=O )C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F |
methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate |
| 36382 |  OUZ |
1 | C15 H24 N2 O | InChI=1S/C15H24N2O/c1-3-1 6-9-10-17-11-15(18-12-13( 17)2)14-7-5-4-6-8-14/h4-8 ,13,15-16H,3,9-12H2,1-2H3 /t13-,15-/m1/s1; VKGGANBMWGYYDB-UKRRQHHQSA-N |
CCNCCN1CC(OCC1C)c2ccccc2; CCNCCN1C[CH](O C[CH]1C)c2ccccc2; CCNCCN1C[C@@H](OC[C@H] 1C)c2ccccc2 |
~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine |
| 36383 |  OV0 |
2 | C24 H18 F2 N4 O2 | InChI=1S/C24H18F2N4O2/c25 -16-4-3-5-17(26)21(16)18- 12-19(22-20(29-18)13-27-2 3(22)31)28-15-8-6-14(7-9- 15)24(32)30-10-1-2-11-30/ h3-9,12-13H,1-2,10-11H2,( H,28,29); IIQPGWZFSIWDHM-UHFFFAOYSA-N |
O=C(c1ccc(Nc2cc(nc3C=NC(=O)c32)c2c(F)ccc c2F)cc1)N1CCCC1; Fc1cccc(F)c1c2cc(Nc3ccc (cc3)C(=O)N4CCCC4)c5C(=O)N=Cc5n2; c1cc(c (c(c1)F)c2cc(c3c(n2)C=NC3=O)Nc4ccc(cc4)C (=O)N5CCCC5)F |
2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one |
| 36384 |  OV1 |
7 | C25 H49 N3 O6 S | InChI=1S/C25H49N3O6S/c1-8 -9-10-11-21(30)28-22(17(4 )5)25(33)26-19(12-13-35(7 )34)24(32)27-20(14-16(2)3 )23(31)18(6)15-29/h16-20, 22-23,29,31H,8-15H2,1-7H3 ,(H,26,33)(H,27,32)(H,28, 30)/t18-,19+,20+,22+,23+, 35-/m1/s1; LBVOFIKOXKWSTC-WFKZTUFRSA-N |
CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[ S@@](C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[ C@H](C)CO; O=C(NC(C(=O)NC(CC(C)C)C(O)C(C )CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C; CCCCCC (=O)NC(C(C)C)C(=O)NC(CCS(=O)C)C(=O)NC(CC (C)C)C(C(C)CO)O; CCCCCC(=O)N[C@@H](C(C)C )C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](C C(C)C)[C@H]([C@H](C)CO)O; CCCCCC(=O)N[CH ](C(C)C)C(=O)N[CH](CC[S](C)=O)C(=O)N[CH] (CC(C)C)[CH](O)[CH](C)CO |
N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide; Carmaphycin A, bound form |
| 36385 |  OV2 ZINC000098209277 |
9 | C27 H52 N4 O6 | InChI=1S/C27H52N4O6/c1-9- 10-11-12-22(33)30-24(18(4 )5)27(37)28-20(13-14-23(3 4)31(7)8)26(36)29-21(15-1 7(2)3)25(35)19(6)16-32/h1 7-21,24-25,32,35H,9-16H2, 1-8H3,(H,28,37)(H,29,36)( H,30,33)/t19-,20+,21+,24+ ,25+/m1/s1; GCNGDQPTMQHXBF-SHYPXNFWSA-N |
CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC (=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)[ C@H](C)CO; CCCCCC(=O)NC(C(C)C)C(=O)NC(CC C(=O)N(C)C)C(=O)NC(CC(C)C)C(C(C)CO)O; O= C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)C CCCC)C(C)C)CCC(=O)N(C)C; CCCCCC(=O)N[C@@ H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O) N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O; CCCCC C(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C )C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CO |
N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide; Carmaphycin A analogue, bound from |
| 36386 |  OV3 |
3 | C11 H16 F3 N O7 | InChI=1S/C11H16F3NO7/c12- 11(13,14)10(21)15-1-2-22- 8-6(9(19)20)4(16)3-5(17)7 (8)18/h4-8,16-18H,1-3H2,( H,15,21)(H,19,20)/t4-,5-, 6-,7+,8+/m0/s1; LCSQNEOJAYNASK-QYYLWSOASA-N |
C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O CCNC(=O)C(F)(F)F)C(=O)O)O; O[CH]1C[CH](O )[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O) =O; O[C@H]1C[C@H](O)[C@@H]([C@@H](OCCNC( =O)C(F)(F)F)[C@@H]1O)C(O)=O; C1C(C(C(C(C 1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O |
(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid |
| 36387 |  OV4 |
1 | C23 H23 N5 O | InChI=1S/C23H23N5O/c1-26( 2)19-12-14-20(15-13-19)27 (16-18-8-4-3-5-9-18)23(29 )17-28-22-11-7-6-10-21(22 )24-25-28/h3-15H,16-17H2, 1-2H3; KOZCSUYCMLWBNN-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccc cc4nn3; CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O) Cn3nnc4ccccc34; CN(C)c1ccc(cc1)N(Cc1cccc c1)C(=O)Cn1nnc2ccccc21 |
2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide |
| 36388 |  OV5 |
5 | C21 H15 Cl F N5 O2 | InChI=1S/C21H15ClFN5O2/c1 -2-24-20(29)11-6-7-17(25- 9-11)28-15-8-14(18-12(22) 4-3-5-13(18)23)27-16-10-2 6-21(30)19(15)16/h3-10H,2 H2,1H3,(H,24,29)(H,25,27, 28); GRSCUMLWKVMZMN-UHFFFAOYSA-N |
CCNC(=O)c1ccc(Nc2cc(nc3C=NC(=O)c23)c4c(F )cccc4Cl)nc1; CCNC(=O)c1ccc(nc1)Nc2cc(nc 3c2C(=O)N=C3)c4c(cccc4Cl)F; CCNC(=O)c1cc c(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl |
6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide |
| 36389 |  OV6 |
2 | C21 H36 N4 O11 | InChI=1S/C21H36N4O11/c1-4 -5-32-20-14(22-10(2)28)16 (30)18(13(8-27)35-20)36-2 1-17(31)19(15(29)12(7-26) 34-21)33-9-11-6-25(3)24-2 3-11/h6,12-21,26-27,29-31 H,4-5,7-9H2,1-3H3,(H,22,2 8)/t12-,13-,14-,15+,16-,1 7-,18-,19+,20-,21+/m1/s1; MSOLTVRMDPXMPE-WFNKYQNYSA-N |
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO) O)OCc3cn(nn3)C)O)O)NC(=O)C; CCCO[CH]1O[C H](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OC c3cn(C)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O; C CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC c3cn(nn3)C)O)O)NC(=O)C; CCCO[C@@H]1O[C@H ](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C @H](OCc3cn(C)nn3)[C@H]2O)[C@H](O)[C@H]1N C(C)=O |
~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
| 36390 |  OV7 |
0 | C4 H7 N O4 S | InChI=1S/C4H7NO4S/c5-3(4( 8)9)10-1-2(6)7/h3H,1,5H2, (H,6,7)(H,8,9)/t3-/m1/s1; FDUUQONQQWJTKJ-GSVOUGTGSA-N |
C(C(=O)O)SC(C(=O)O)N; C(C(=O)O)S[C@H](C( =O)O)N; N[CH](SCC(O)=O)C(O)=O; NC(C(O)=O )SCC(O)=O; N[C@H](SCC(O)=O)C(O)=O |
(2R)-amino[(carboxymethyl)sulfanyl]acetic acid |
| 36391 |  OV8 CHEMBL4871079 |
1 | C18 H34 N6 O7 S | InChI=1S/C18H34N6O7S/c1-1 1(2)6-14(20)18(27)22-32(2 8,29)31-10-15-17(26)16(25 )12(9-30-15)4-3-5-24-8-13 (7-19)21-23-24/h8,11-12,1 4-17,25-26H,3-7,9-10,19-2 0H2,1-2H3,(H,22,27)/t12-, 14+,15-,16+,17-/m1/s1; CBXGRYCGMRFRFP-LMLQULGWSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N ; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O C[CH](CCCn2cc(CN)nn2)[CH](O)[CH]1O; CC(C )C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@ @H](CCCn2cc(CN)nn2)[C@H](O)[C@@H]1O; CC( C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2c c(nn2)CN)O)O)N |
[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36392 |  OV9 CHEMBL1738820 ZINC000006090930 |
0 | C7 H5 N5 O3 | InChI=1S/C7H5N5O3/c8-7-11 -4-3(5(13)12-7)9-1-2(10-4 )6(14)15/h1H,(H,14,15)(H3 ,8,10,11,12,13); NZLJLZVXWBEGCE-UHFFFAOYSA-N |
c1c(nc2c(n1)C(=O)NC(=N2)N)C(=O)O; NC1=Nc 2nc(cnc2C(=O)N1)C(O)=O |
2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid |
| 36393 |  OVA DB04324 ZINC000012504299 |
4 | C16 H26 O5 | InChI=1S/C16H26O5/c1-10(2 )6-7-12-15(4,21-12)16(19) 13(20-5)11(17)8-9-14(16,3 )18/h6,12-13,18-19H,7-9H2 ,1-5H3/t12-,13-,14-,15+,1 6-/m1/s1; UOXVFQCRPDLSFN-DGXTUMSLSA-N |
O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C) CC2; CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@ H](C(=O)CC[C@@]2(C)O)OC)O)C; CC(=CCC1C(O 1)(C)C2(C(C(=O)CCC2(C)O)OC)O)C; CO[CH]1C (=O)CC[C](C)(O)[C]1(O)[C]2(C)O[CH]2CC=C( C)C; CO[C@@H]1C(=O)CC[C@@](C)(O)[C@@]1(O )[C@@]2(C)O[C@@H]2CC=C(C)C |
3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE; OVALICIN |
| 36394 |  OVB CHEMBL4864965 |
1 | C24 H34 F3 N5 O8 S | InChI=1S/C24H34F3N5O8S/c1 -14(2)10-18(28)23(35)30-4 1(36,37)39-13-20-22(34)21 (33)16(12-38-20)4-3-9-32- 11-19(29-31-32)15-5-7-17( 8-6-15)40-24(25,26)27/h5- 8,11,14,16,18,20-22,33-34 H,3-4,9-10,12-13,28H2,1-2 H3,(H,30,35)/t16-,18+,20- ,21+,22-/m1/s1; RYNRVLDROIFGBF-RCUFNAHASA-N |
CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC n2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N; CC(C )C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH]( CCCn2cc(nn2)c3ccc(OC(F)(F)F)cc3)[CH](O)[ CH]1O; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC [C@H]1OC[C@@H](CCCn2cc(nn2)c3ccc(OC(F)(F )F)cc3)[C@H](O)[C@@H]1O; CC(C)C[C@@H](C( =O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H] (CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O )N |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36395 |  OVC |
1 | C19 H12 F2 N4 O2 | InChI=1S/C19H12F2N4O2/c1- 27-11-7-5-10(6-8-11)23-18 -16-14(9-22-19(16)26)24-1 7(25-18)15-12(20)3-2-4-13 (15)21/h2-9H,1H3,(H,23,24 ,25); TWRUQHZKSONBRW-UHFFFAOYSA-N |
COc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc4F)F)C= NC3=O; COc1ccc(Nc2nc(nc3C=NC(=O)c23)c4c( F)cccc4F)cc1; Fc1cccc(F)c1c1nc2C=NC(=O)c 2c(n1)Nc1ccc(OC)cc1 |
2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one |
| 36396 |  OVD |
2 | C20 H34 N4 O11 | InChI=1S/C20H34N4O11/c1-3 -4-31-19-13(22-9(2)27)15( 29)17(12(7-26)34-19)35-20 -16(30)18(14(28)11(6-25)3 3-20)32-8-10-5-21-24-23-1 0/h5,11-20,25-26,28-30H,3 -4,6-8H2,1-2H3,(H,22,27)( H,21,23,24)/t11-,12-,13-, 14+,15-,16-,17-,18+,19-,2 0+/m1/s1; BHUHIMJWCDUIMU-MRHFAZSRSA-N |
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO) O)OCc3c[nH]nn3)O)O)NC(=O)C; CCCOC1C(C(C( C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3c[nH]nn3) O)O)NC(=O)C; CCCO[CH]1O[CH](CO)[CH](O[CH ]2O[CH](CO)[CH](O)[CH](OCc3c[nH]nn3)[CH] 2O)[CH](O)[CH]1NC(C)=O; CCCO[C@@H]1O[C@H ](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C @H](OCc3c[nH]nn3)[C@H]2O)[C@H](O)[C@H]1N C(C)=O |
~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
| 36397 |  OVE |
5 | C10 H14 N5 O6 P S | InChI=1S/C10H14N5O6PS/c11 -8-5-9(13-2-12-8)15(3-14- 5)10-7(21-22(18,19)23)6(1 7)4(1-16)20-10/h2-4,6-7,1 0,16-17H,1H2,(H2,11,12,13 )(H2,18,19,23)/p-2/t4-,6- ,7-,10-/m1/s1; KWODASVFOLWUKA-KQYNXXCUSA-L |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO)O)OP(=O)(O)S)N; c1nc(c2c(n1)n( cn2)C3C(C(C(O3)CO)O)OP(=O)(O)S)N; Nc1ncn c2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H ]3O[P](O)(S)=O; Nc1ncnc2n(cnc12)[CH]3O[C H](CO)[CH](O)[CH]3O[P](O)(S)=O; [O-]P([S -])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO |
2'-O-(sulfidophosphinato)adenosine; ADENOSINE-2'-MONOPHOSPHOROTHIOATE |
| 36398 |  OVF |
1 | C23 H22 Cl N5 O | InChI=1S/C23H22ClN5O/c1-2 7(2)19-10-12-20(13-11-19) 28(15-17-6-5-7-18(24)14-1 7)23(30)16-29-22-9-4-3-8- 21(22)25-26-29/h3-14H,15- 16H2,1-2H3; DJHGLSHYLFLFFG-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1n nc2ccccc21; CN(C)c1ccc(cc1)N(Cc2cccc(c2) Cl)C(=O)Cn3c4ccccc4nn3; CN(C)c1ccc(cc1)N (Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34 |
2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide |
| 36399 |  OVG |
1 | C14 H16 O4 | InChI=1S/C14H16O4/c1-2-3- 6-17-11-4-5-12-10(7-14(15 )16)9-18-13(12)8-11/h4-5, 8-9H,2-3,6-7H2,1H3,(H,15, 16); SZOTYOZQWWESFH-UHFFFAOYSA-N |
CCCCOc1ccc2c(CC(O)=O)coc2c1; C(=O)(O)Cc2 coc1c2ccc(c1)OCCCC; CCCCOc1ccc2c(c1)occ2 CC(=O)O |
(6-butoxy-1-benzofuran-3-yl)acetic acid |
| 36400 |  OVH CHEMBL4861722 |
1 | C23 H35 N5 O7 S | InChI=1S/C23H35N5O7S/c1-1 5(2)11-18(24)23(31)26-36( 32,33)35-14-20-22(30)21(2 9)17(13-34-20)9-6-10-28-1 2-19(25-27-28)16-7-4-3-5- 8-16/h3-5,7-8,12,15,17-18 ,20-22,29-30H,6,9-11,13-1 4,24H2,1-2H3,(H,26,31)/t1 7-,18+,20-,21+,22-/m1/s1; GZWHBJQJDPZTNY-WQIFRTTPSA-N |
CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[ CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O; CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3 )O)O)N; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C (CO1)CCCn2cc(nn2)c3ccccc3)O)O)N; CC(C)C[ C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H] (CCCn2cc(nn2)c3ccccc3)[C@H](O)[C@@H]1O |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |