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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 19401 | EE2 ZINC000095920885 |
4 | C22 H20 O7 | InChI=1S/C22H20O7/c23-17- 10-12-3-1-2-4-15(12)16(17 )9-13-5-7-18-21(20(13)22( 26)27)28-11-14(29-18)6-8- 19(24)25/h1-5,7,9,14,17,2 3H,6,8,10-11H2,(H,24,25)( H,26,27)/b16-9+/t14-,17+/ m1/s1; MFTKMGJMWGIHJP-HJKFZPBFSA-N |
c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O )O)OC[C@H](O4)CCC(=O)O)O; O[C@H]1Cc2cccc c2\C1=C/c3ccc4O[C@H](CCC(O)=O)COc4c3C(O) =O; O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)/C=C 4\c3ccccc3CC4O; c1ccc2c(c1)CC(C2=Cc3ccc4 c(c3C(=O)O)OCC(O4)CCC(=O)O)O; O[CH]1Cc2c cccc2C1=Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O) =O |
(2R)-2-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2S)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| 19402 | EE3 | 0 | C10 H15 N3 O4 | InChI=1S/C10H15N3O4/c11-7 (10(15)16)3-1-2-4-13-9(14 )8-5-12-6-17-8/h5-7H,1-4, 11H2,(H,13,14)(H,15,16)/t 7-/m0/s1; OXEFIYHXARXMRR-ZETCQYMHSA-N |
N[CH](CCCCNC(=O)c1ocnc1)C(O)=O; c1c(ocn1 )C(=O)NCCCCC(C(=O)O)N; N[C@@H](CCCCNC(=O )c1ocnc1)C(O)=O; c1c(ocn1)C(=O)NCCCC[C@@ H](C(=O)O)N |
(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid |
| 19403 | EE4 | 2 | C30 H30 F N5 O5 | InChI=1S/C30H30FN5O5/c1-3 -12-41-24-10-11-25(40-2)2 7(31)26(24)28(37)17-4-6-1 8(7-5-17)29(38)34-22-15-3 2-16-23(22)35-30(39)19-8- 9-21-20(13-19)14-33-36-21 /h4-11,13-14,22-23,32H,3, 12,15-16H2,1-2H3,(H,33,36 )(H,34,38)(H,35,39)/t22-, 23-/m1/s1; AYXNTJKOINXKAJ-DHIUTWEWSA-N |
CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H ]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC ; CCCOc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O )N[C@@H]3CNC[C@H]3NC(=O)c4ccc5[nH]ncc5c4 ; c5c(C(c1c(OCCC)ccc(c1F)OC)=O)ccc(C(=O) NC2C(CNC2)NC(=O)c3cc4c(cc3)nnc4)c5; CCCO c1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O)N[CH] 3CNC[CH]3NC(=O)c4ccc5[nH]ncc5c4; CCCOc1c cc(c(c1C(=O)c2ccc(cc2)C(=O)NC3CNCC3NC(=O )c4ccc5c(c4)cn[nH]5)F)OC |
N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide |
| 19404 | EE5 CHEMBL5207717 |
2 | C20 H16 N2 O3 S | InChI=1S/C20H16N2O3S/c1-3 -4-13-7-10-16-18(12(13)2) 21-17(22-19(16)23)11-26-1 5-8-5-14(6-9-15)20(24)25/ h5-10H,11H2,1-2H3,(H,24,2 5)(H,21,22,23); RMIJZTKTCJJVSA-UHFFFAOYSA-N |
CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C( O)=O; CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc( cc3)C(=O)O |
4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid |
| 19405 | EE6 | 2 | C27 H28 O5 | InChI=1S/C27H28O5/c1-16(2 )5-8-19-13-18(7-11-22(19) 28)14-24-26(30)25(27(31)3 2-24)21-10-12-23(29)20(15 -21)9-6-17(3)4/h5-7,10-15 ,28-30H,8-9H2,1-4H3; LFDYHAWYVIBCDT-UHFFFAOYSA-N |
CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc( c(c3)CC=C(C)C)O)O)C; CC(C)=CCc1cc(ccc1O) \C=C/2OC(=O)C(=C/2O)c3ccc(O)c(CC=C(C)C)c 3; CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c 3ccc(O)c(CC=C(C)C)c3 |
3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one |
| 19406 | EE7 CHEMBL4211318 |
1 | C32 H36 F4 N8 O S | InChI=1S/C32H36F4N8OS/c1- 21-22(2-3-28-26(21)14-24( 18-37)44(28)13-10-41-8-11 -43(12-9-41)29(45)17-33)1 9-42-6-4-23(5-7-42)40-30- 27-15-25(16-32(34,35)36)4 6-31(27)39-20-38-30/h2-3, 14-15,20,23H,4-13,16-17,1 9H2,1H3,(H,38,39,40); LEXHBKLOMBAPDX-UHFFFAOYSA-N |
Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc3 4)ccc5n(CCN6CCN(CC6)C(=O)CF)c(cc15)C#N; Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N) CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F; c5 6c(c(NC1CCN(CC1)Cc2ccc3c(c2C)cc(n3CCN4CC N(CC4)C(=O)CF)C#N)ncn5)cc(s6)CC(F)(F)F |
1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
| 19407 | EE8 CHEMBL4166708 |
2 | C10 H12 Cl N O2 | InChI=1S/C10H12ClNO2/c1-3 -14-10-5-4-8(6-9(10)11)12 -7(2)13/h4-6H,3H2,1-2H3,( H,12,13); ORFOTXJLULZKSJ-UHFFFAOYSA-N |
CCOc1ccc(cc1Cl)NC(=O)C; CCOc1ccc(NC(C)=O )cc1Cl |
~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide |
| 19408 | EE9 CHEMBL4742169 |
1 | C26 H26 N6 O | InChI=1S/C26H26N6O/c1-16( 2)32-17(3)25(33)31(4)23-1 0-9-19(13-24(23)32)29-26- 28-12-11-22(30-26)21-15-2 7-14-18-7-5-6-8-20(18)21/ h5-17H,1-4H3,(H,28,29,30) /t17-/m1/s1; SBOSVLRBKPEZMQ-QGZVFWFLSA-N |
CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4 cncc5c4cccc5)C; CC(C)N1[C@H](C)C(=O)N(C) c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12; CC (C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4 cncc5ccccc45)cc12; C[C@@H]1C(=O)N(c2ccc( cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C |
(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
| 19409 | EEA CHEMBL1232487 ZINC000058661305 |
1 | C28 H29 Cl N4 O8 | InChI=1S/C28H29ClN4O8/c29 -19-3-1-2-18(14-19)16-4-6 -17(7-5-16)23-15-20(41-33 -23)8-11-24(34)31-22(10-1 3-26(37)38)28(40)32-21(27 (30)39)9-12-25(35)36/h1-7 ,14-15,21-22H,8-13H2,(H2, 30,39)(H,31,34)(H,32,40)( H,35,36)(H,37,38)/t21-,22 -/m0/s1; KOVQMCGGWATESY-VXKWHMMOSA-N |
NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)= O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c 3; NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O) =O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl) c3; O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc3o nc(c2ccc(c1cccc(Cl)c1)cc2)c3)CCC(=O)O; c 1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N C(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N; c1cc (cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@ @H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O) N |
N-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide |
| 19410 | EEB ZINC000038377582 |
1 | C21 H33 N3 O19 P2 | InChI=1S/C21H33N3O19P2/c1 -3-9(19(31)32)39-17-13(22 -8(2)26)20(41-10(6-25)15( 17)29)42-45(36,37)43-44(3 4,35)38-7-11-14(28)16(30) 18(40-11)24-5-4-12(27)23- 21(24)33/h4-5,9-11,13-18, 20,25,28-30H,3,6-7H2,1-2H 3,(H,22,26)(H,31,32)(H,34 ,35)(H,36,37)(H,23,27,33) /t9-,10-,11-,13-,14-,15-, 16-,17-,18-,20-/m1/s1; DFCARJAECCPPGB-LHYXAPFASA-N |
CC[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H] (O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H] ([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H] 1NC(C)=O)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O )O)CC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2 C=CC(=O)NC2=O)C(O)C3O; CCC(C(=O)O)O[C@@H ]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@]( =O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([ C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C; CC [CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)( =O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O )N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O; CC C(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O )(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC( =O)C |
URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID |
| 19411 | EEC CHEMBL1232489 ZINC000058660930 |
1 | C22 H26 N4 O8 | InChI=1S/C22H26N4O8/c23-2 1(32)15(7-10-19(28)29)25- 22(33)16(8-11-20(30)31)24 -18(27)9-6-14-12-17(26-34 -14)13-4-2-1-3-5-13/h1-5, 12,15-16H,6-11H2,(H2,23,3 2)(H,24,27)(H,25,33)(H,28 ,29)(H,30,31)/t15-,16-/m0 /s1; LIIRZRQVACDFBI-HOTGVXAUSA-N |
NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)= O)NC(=O)CCc1onc(c1)c2ccccc2; O=C(O)CCC(C (=O)N)NC(=O)C(NC(=O)CCc2onc(c1ccccc1)c2) CCC(=O)O; NC(=O)[CH](CCC(O)=O)NC(=O)[CH] (CCC(O)=O)NC(=O)CCc1onc(c1)c2ccccc2; c1c cc(cc1)c2cc(on2)CCC(=O)NC(CCC(=O)O)C(=O) NC(CCC(=O)O)C(=O)N; c1ccc(cc1)c2cc(on2)C CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC( =O)O)C(=O)N |
N-[3-(3-phenylisoxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamyl-amide |
| 19412 | EED DB07707 ZINC000013610524 |
2 | C20 H28 O3 | InChI=1S/C20H28O3/c1-20-1 0-13(11-23-2)19-15-6-4-14 (21)9-12(15)3-5-16(19)17( 20)7-8-18(20)22/h4,6,9,13 ,16-19,21-22H,3,5,7-8,10- 11H2,1-2H3/t13-,16+,17+,1 8+,19-,20+/m1/s1; LEOPSILMAOYZBO-IUTAEKPZSA-N |
C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[ C@@H]1CC[C@@H]2O)O)COC; COC[C@H]1C[C@]2( C)[C@@H](O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[ C@@H]13; Oc1cc4c(cc1)C3C(CC2(C(CCC2O)C3C C4)C)COC; CC12CC(C3c4ccc(cc4CCC3C1CCC2O) O)COC; COC[CH]1C[C]2(C)[CH](O)CC[CH]2[CH ]3CCc4cc(O)ccc4[CH]13 |
(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL |
| 19413 | EEE CHEMBL14152 ZINC000000895412 |
17 | C4 H8 O2 | InChI=1S/C4H8O2/c1-3-6-4( 2)5/h3H2,1-2H3; XEKOWRVHYACXOJ-UHFFFAOYSA-N |
O=C(OCC)C; CCOC(C)=O; CCOC(=O)C | ETHYL ACETATE |
| 19414 | EEF ZINC000058649892 |
1 | C25 H29 N3 O7 | InChI=1S/C25H29N3O7/c26-2 4(34)19(11-14-22(30)31)28 -25(35)20(12-15-23(32)33) 27-21(29)13-8-16-6-9-18(1 0-7-16)17-4-2-1-3-5-17/h1 -7,9-10,19-20H,8,11-15H2, (H2,26,34)(H,27,29)(H,28, 35)(H,30,31)(H,32,33)/t19 -,20-/m0/s1; KGICPKKIUBLFER-PMACEKPBSA-N |
NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)= O)NC(=O)CCc1ccc(cc1)c2ccccc2; c1ccc(cc1) c2ccc(cc2)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC (=O)O)C(=O)N; NC(=O)[CH](CCC(O)=O)NC(=O) [CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccccc2 ; c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC (=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N; C(C( NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O)=O)C c2ccc(c1ccccc1)cc2 |
N-(3-biphenyl-4-ylpropanoyl)-L-alpha-glutamyl-L-alpha-glutamyl-amide |
| 19415 | EEG CHEMBL1232492 ZINC000058661306 |
2 | C29 H31 N3 O7 S | InChI=1S/C29H31N3O7S/c30- 28(38)22(11-14-26(34)35)3 2-29(39)23(12-15-27(36)37 )31-25(33)13-8-18-6-9-20( 10-7-18)24-16-21(17-40-24 )19-4-2-1-3-5-19/h1-7,9-1 0,16-17,22-23H,8,11-15H2, (H2,30,38)(H,31,33)(H,32, 39)(H,34,35)(H,36,37)/t22 -,23-/m0/s1; MMIHYNVQXYWTFM-GOTSBHOMSA-N |
c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@ @H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O) N; c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N C(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N; NC(= O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC (=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3; O=C(O )CCC(C(=O)N)NC(=O)C(NC(=O)CCc3ccc(c2scc( c1ccccc1)c2)cc3)CCC(=O)O; NC(=O)[CH](CCC (O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc( cc1)c2scc(c2)c3ccccc3 |
N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide |
| 19416 | EEH | 2 | C33 H40 N4 O4 S | InChI=1S/C33H40N4O4S/c1-2 2-26-10-6-7-11-28(26)42-2 9(22)20-30(38)35-25-14-12 -24(13-15-25)19-32(40)37- 17-16-36(21-31(39)34-2)33 (41)27(37)18-23-8-4-3-5-9 -23/h3-11,24-25,27H,12-21 H2,1-2H3,(H,34,39)(H,35,3 8)/t24-,25+,27-/m0/s1; OQRVFGJGKMZWJF-WEWMWRJBSA-N |
Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4C CN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC; CNC(= O)CN1CCN([C@@H](Cc2ccccc2)C1=O)C(=O)C[C@ @H]3CC[C@@H](CC3)NC(=O)Cc4sc5ccccc5c4C; CNC(=O)CN1CCN([CH](Cc2ccccc2)C1=O)C(=O)C [CH]3CC[CH](CC3)NC(=O)Cc4sc5ccccc5c4C; C c1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CC N(C(=O)C4Cc5ccccc5)CC(=O)NC |
N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide |
| 19417 | EEI CHEMBL3700112 ZINC000113421716 |
2 | C19 H19 N5 S | InChI=1S/C19H19N5S/c1-13- 9-14(2)24-10-16(21-18(24) 20-13)12-25-19-22-17(11-2 3(19)3)15-7-5-4-6-8-15/h4 -11H,12H2,1-3H3; PHRXKMLPVHCGBS-UHFFFAOYSA-N |
Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4; Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C |
5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine |
| 19418 | EEJ | 1 | C31 H31 Cl2 N9 O4 | InChI=1S/C31H31Cl2N9O4/c1 -19(43)41-13-3-4-20(17-41 )14-26(36-29(44)12-7-22-1 5-23(32)8-11-28(22)42-18- 34-39-40-42)27-16-25(30(3 3)38-37-27)21-5-9-24(10-6 -21)35-31(45)46-2/h5-12,1 5-16,18,20,26H,3-4,13-14, 17H2,1-2H3,(H,35,45)(H,36 ,44)/b12-7+/t20-,26+/m1/s 1; QCCGVMDYTWPPFU-BONIYOLGSA-N |
c1cc(ccc1c5cc(C(NC(\C=C\c2c(ccc(c2)Cl)n3 cnnn3)=O)CC4CCCN(C4)C(=O)C)nnc5Cl)NC(OC) =O; COC(=O)Nc1ccc(cc1)c2cc(nnc2Cl)[C@H]( C[C@H]3CCCN(C3)C(C)=O)NC(=O)/C=C/c4cc(Cl )ccc4n5cnnn5; COC(=O)Nc1ccc(cc1)c2cc(nnc 2Cl)[CH](C[CH]3CCCN(C3)C(C)=O)NC(=O)C=Cc 4cc(Cl)ccc4n5cnnn5; CC(=O)N1CCCC(C1)CC(c 2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)C= Cc4cc(ccc4n5cnnn5)Cl; CC(=O)N1CCC[C@@H]( C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O )OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl |
methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate |
| 19419 | EEK | 1 | C9 H8 Cl2 N2 O3 | InChI=1S/C9H8Cl2N2O3/c10- 6-2-1-5(3-7(6)11)12-8(14) 4-9(15)13-16/h1-3,16H,4H2 ,(H,12,14)(H,13,15); ZGACHNBRFOETSO-UHFFFAOYSA-N |
c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl; ONC(=O)C C(=O)Nc1ccc(Cl)c(Cl)c1 |
~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide |
| 19420 | EEL CHEMBL4784122 |
1 | C9 H15 N O3 S2 | InChI=1S/C9H15NO3S2/c11-8 (6(4-14)5-15)10-3-1-2-7(1 0)9(12)13/h6-7,14-15H,1-5 H2,(H,12,13)/t7-/m1/s1; CTDDWEHVCFADKZ-SSDOTTSWSA-N |
C1CC(N(C1)C(=O)C(CS)CS)C(=O)O; OC(=O)[C@ H]1CCCN1C(=O)C(CS)CS; C1C[C@@H](N(C1)C(= O)C(CS)CS)C(=O)O; OC(=O)[CH]1CCCN1C(=O)C (CS)CS |
(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid |
| 19421 | EEM | 11 | C15 H23 N6 O5 Se | InChI=1S/C15H22N6O5Se/c1- 27(3-2-7(16)15(24)25)4-8- 10(22)11(23)14(26-8)21-6- 20-9-12(17)18-5-19-13(9)2 1/h5-8,10-11,14,22-23H,2- 4,16H2,1H3,(H2-,17,18,19, 24,25)/p+1/t7-,8+,10+,11+ ,14+,27-/m0/s1; GGJFWMOVUFBSIN-FCKMPRQPSA-O |
C[Se+](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH]( O)[CH]1O)n2cnc3c(N)ncnc23; C[Se@@+](CC[C @H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H ]1O)n2cnc3c(N)ncnc23; C[Se+](CCC(C(=O)O) N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O; C[Se@@ +](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H] ([C@@H](O1)n2cnc3c2ncnc3N)O)O; O=C(O)C(N )CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3 O |
[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium; Se-ADENOSYLSELENOMETHIONINE |
| 19422 | EEN | 0 | C8 H13 F2 N O6 | InChI=1S/C8H13F2NO6/c9-6( 10)7(15)11-3-5(14)4(13)2( 1-12)17-8(3)16/h2-6,8,12- 14,16H,1H2,(H,11,15)/t2-, 3-,4+,5-,8+/m1/s1; QWUDJWPZSGMAGG-WWHASAIZSA-N |
C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O; OC[C @H]1O[C@H](O)[C@H](NC(=O)C(F)F)[C@@H](O) [C@H]1O; C([C@@H]1[C@@H]([C@@H]([C@H]([C @H](O1)O)NC(=O)C(F)F)O)O)O; OC[CH]1O[CH] (O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O |
2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose; N-DIFLUOROACETYL-D-GALACTOSAMINE; 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-galactose |
| 19423 | EEO CHEMBL4764694 |
1 | C11 H19 N O3 S | InChI=1S/C11H19NO3S/c1-8( 7-16)10(13)12-6-4-2-3-5-9 (12)11(14)15/h8-9,16H,2-7 H2,1H3,(H,14,15)/t8-,9-/m 1/s1; AKICLYTXRQJFDT-RKDXNWHRSA-N |
CC(CS)C(=O)N1CCCCCC1C(=O)O; C[CH](CS)C(= O)N1CCCCC[CH]1C(O)=O; C[C@H](CS)C(=O)N1C CCCC[C@@H]1C(O)=O; C[C@H](CS)C(=O)N1CCCC C[C@@H]1C(=O)O |
(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid |
| 19424 | EEP | 0 | C6 H13 N O4 | InChI=1S/C6H13NO4/c1-6(11 ,3-8)2-4(7)5(9)10/h4,8,11 H,2-3,7H2,1H3,(H,9,10)/t4 -,6+/m0/s1; ASHXMQKUZGLXMR-UJURSFKZSA-N |
C[C](O)(CO)C[CH](N)C(O)=O; C[C@@](C[C@@H ](C(=O)O)N)(CO)O; CC(CC(C(=O)O)N)(CO)O; C(C)(O)(CC(C(=O)O)N)CO; C[C@](O)(CO)C[C@ H](N)C(O)=O |
(2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid |
| 19425 | EEQ | 0 | C8 H14 F N O6 | InChI=1S/C8H14FNO6/c9-1-4 (12)10-5-7(14)6(13)3(2-11 )16-8(5)15/h3,5-8,11,13-1 5H,1-2H2,(H,10,12)/t3-,5- ,6+,7-,8+/m1/s1; LMPCEKTVFVQIPT-VDUCJHRSSA-N |
OC[C@H]1O[C@H](O)[C@H](NC(=O)CF)[C@@H](O )[C@H]1O; OC[CH]1O[CH](O)[CH](NC(=O)CF)[ CH](O)[CH]1O; C(C1C(C(C(C(O1)O)NC(=O)CF) O)O)O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@H ](O1)O)NC(=O)CF)O)O)O |
2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose; 2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide; 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactose; 2-deoxy-2-[(fluoroacetyl)amino]-D-galactose; 2-deoxy-2-[(fluoroacetyl)amino]-galactose |
| 19426 | EER CHEMBL4779943 |
1 | C10 H17 N O3 S | InChI=1S/C10H17NO3S/c1-7( 6-15)9(12)11-5-3-2-4-8(11 )10(13)14/h7-8,15H,2-6H2, 1H3,(H,13,14)/t7-,8-/m1/s 1; FFNRAOIWXHDKFF-HTQZYQBOSA-N |
CC(CS)C(=O)N1CCCCC1C(=O)O; C[C@H](CS)C(= O)N1CCCC[C@@H]1C(O)=O; C[C@H](CS)C(=O)N1 CCCC[C@@H]1C(=O)O; C[CH](CS)C(=O)N1CCCC[ CH]1C(O)=O |
(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
| 19427 | EES CHEMBL180071 DB07708 ZINC000013609473 |
2 | C13 H9 Cl N2 O2 | InChI=1S/C13H9ClN2O2/c14- 13-11-7-10(18)5-6-12(11)1 5-16(13)8-1-3-9(17)4-2-8/ h1-7,17-18H; ZNHQDSBJVFFIAK-UHFFFAOYSA-N |
Clc1c3cc(O)ccc3nn1c2ccc(O)cc2; Oc1ccc(cc 1)n2nc3ccc(O)cc3c2Cl; c1cc(ccc1n2c(c3cc( ccc3n2)O)Cl)O |
3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL |
| 19428 | EET ZINC000004655425 |
4 | C20 H34 O4 | InChI=1S/C20H34O4/c1-2-3- 12-15-18(21)19(22)16-13-1 0-8-6-4-5-7-9-11-14-17-20 (23)24/h4,6-7,9-10,13,18- 19,21-22H,2-3,5,8,11-12,1 4-17H2,1H3,(H,23,24)/b6-4 -,9-7-,13-10-/t18-,19-/m1 /s1; SYAWGTIVOGUZMM-JHIAIUNDSA-N |
CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(= O)O)O)O; CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O) O)O; CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC (O)=O; CCCCC[C@@H](O)[C@H](O)C\C=C/C/C=C \C\C=C/CCCC(O)=O |
(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid |
| 19429 | EEU ZINC000068057156 |
1 | C35 H41 N3 O10 | InChI=1S/C35H41N3O10/c1-3 4-9-7-27-26-5-3-25(39)14- 22(26)2-4-28(27)29(34)8-1 1-35(34,48)10-6-21-12-23( 15-37(17-30(40)41)18-31(4 2)43)36-24(13-21)16-38(19 -32(44)45)20-33(46)47/h3, 5,12-14,27-29,39,48H,2,4, 7-9,11,15-20H2,1H3,(H,40, 41)(H,42,43)(H,44,45)(H,4 6,47)/t27-,28-,29+,34+,35 +/m1/s1; ASNZLCSGYOKOKE-MXUGPSOYSA-N |
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1 CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O )CN(CC(=O)O)CC(=O)O)O)O; CC12CCC3c4ccc(c c4CCC3C1CCC2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC (=O)O)CN(CC(=O)O)CC(=O)O)O)O; C[C@]12CC[ C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@ ]2(O)C#Cc5cc(CN(CC(O)=O)CC(O)=O)nc(CN(CC (O)=O)CC(O)=O)c5; C[C]12CC[CH]3[CH](CCc4 cc(O)ccc34)[CH]1CC[C]2(O)C#Cc5cc(CN(CC(O )=O)CC(O)=O)nc(CN(CC(O)=O)CC(O)=O)c5 |
ESTRADIOL-PYRIDINIUM TETRAACETIC ACID |
| 19430 | EEV CHEMBL4216801 |
1 | C29 H30 F3 N7 O2 S | InChI=1S/C29H30F3N7O2S/c1 -17-18(2-3-25-23(17)8-20( 11-33)39(25)14-21-12-34-2 6(40)15-41-21)13-38-6-4-1 9(5-7-38)37-27-24-9-22(10 -29(30,31)32)42-28(24)36- 16-35-27/h2-3,8-9,16,19,2 1H,4-7,10,12-15H2,1H3,(H, 34,40)(H,35,36,37)/t21-/m 0/s1; JTUOGOXWKQAKOR-NRFANRHFSA-N |
Cc1c(ccc2c1cc(n2CC3CNC(=O)CO3)C#N)CN4CCC (CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F; c56c(c(N C1CCN(CC1)Cc4ccc3c(cc(C#N)n3CC2CNC(CO2)= O)c4C)ncn5)cc(CC(F)(F)F)s6; Cc1c(ccc2c1c c(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc 5c6cc(sc6ncn5)CC(F)(F)F; Cc1c(CN2CCC(CC2 )Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[C@@H] 6CNC(=O)CO6)c(cc15)C#N; Cc1c(CN2CCC(CC2) Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[CH]6CN C(=O)CO6)c(cc15)C#N |
4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
| 19431 | EEW CHEMBL3969277 |
2 | C14 H27 N2 O5 P | InChI=1S/C14H27N2O5P/c1-5 -10(6-2)21-13-8-11(22(18, 19)20-4)7-12(15)14(13)16- 9(3)17/h8,10,12-14H,5-7,1 5H2,1-4H3,(H,16,17)(H,18, 19)/t12-,13+,14+/m0/s1; PYXVXICPPTUQQZ-BFHYXJOUSA-N |
CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P ](O)(=O)OC; CCC(CC)O[C@@H]1C=C(C[C@@H]([ C@H]1NC(=O)C)N)P(=O)(O)OC; CCC(CC)O[C@@H ]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)O C; CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O) OC |
[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid |
| 19432 | EEX CHEMBL4744333 ZINC000026143403 |
2 | C14 H17 N O3 S | InChI=1S/C14H17NO3S/c1-9( 8-19)13(16)15-7-6-10-4-2- 3-5-11(10)12(15)14(17)18/ h2-5,9,12,19H,6-8H2,1H3,( H,17,18)/t9-,12-/m1/s1; DMGKNMLYAQKRNE-BXKDBHETSA-N |
C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O; C C(CS)C(=O)N1CCc2ccccc2C1C(=O)O; C[C@H](C S)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O; C[C@H] (CS)C(=O)N1CCc2ccccc2[C@@H]1C(O)=O |
(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid |
| 19433 | EEY CHEMBL510698 ZINC000000003381 |
13 | C12 H8 Cl N3 O3 | InChI=1S/C12H8ClN3O3/c13- 11-2-1-9(16(18)19)7-10(11 )12(17)15-8-3-5-14-6-4-8/ h1-7H,(H,14,15,17); FRPJSHKMZHWJBE-UHFFFAOYSA-N |
C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl) =O; c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc 2)Cl; [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2 ccncc2 |
2-chloro-5-nitro-N-(pyridin-4-yl)benzamide |
| 19434 | EEZ CHEMBL4175305 |
4 | C23 H23 Cl N2 O4 S | InChI=1S/C23H23ClN2O4S/c1 -3-31(28,29)20-11-9-17(10 -12-20)13-22(27)26-19-14- 21(24)23(25-15-19)30-16(2 )18-7-5-4-6-8-18/h4-12,14 -16H,3,13H2,1-2H3,(H,26,2 7)/t16-/m0/s1; VMHNMQCWPLURSW-INIZCTEOSA-N |
CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C) c3ccccc3)c(Cl)c2)cc1; CCS(=O)(=O)c1ccc(c c1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3) Cl; CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@ @H](C)c3ccccc3)c(Cl)c2)cc1; CCS(=O)(=O)c 1ccc(cc1)CC(=O)Nc2cc(c(nc2)OC(C)c3ccccc3 )Cl |
~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide |
| 19435 | EF0 CHEMBL4792244 |
1 | C10 H17 N O3 S | InChI=1S/C10H17NO3S/c1-7( 6-15)9(12)11-4-2-8(3-5-11 )10(13)14/h7-8,15H,2-6H2, 1H3,(H,13,14)/t7-/m1/s1; VYYKYNRWNVSARB-SSDOTTSWSA-N |
C[C@H](CS)C(=O)N1CCC(CC1)C(O)=O; CC(CS)C (=O)N1CCC(CC1)C(=O)O; C[C@H](CS)C(=O)N1C CC(CC1)C(=O)O; C[CH](CS)C(=O)N1CCC(CC1)C (O)=O |
1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid |
| 19436 | EF1 CHEMBL2164463 ZINC000003938462 |
1 | C21 H35 N2 O5 P | InChI=1S/C21H35N2O5P/c1-1 6(2)20(23-19(24)13-12-17- 9-5-3-6-10-17)29(27,28)15 -18(21(25)26)11-7-4-8-14- 22/h3,5-6,9-10,16,18,20H, 4,7-8,11-15,22H2,1-2H3,(H ,23,24)(H,25,26)(H,27,28) /t18-,20-/m1/s1; DEWOTLFUKYSXIE-UYAOXDASSA-N |
CC(C)[CH](NC(=O)CCc1ccccc1)[P](O)(=O)C[C H](CCCCCN)C(O)=O; CC(C)[C@H](NC(=O)CCc1c cccc1)[P](O)(=O)C[C@@H](CCCCCN)C(O)=O; C C(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H] (CCCCCN)C(=O)O)O; CC(C)C(NC(=O)CCc1ccccc 1)P(=O)(CC(CCCCCN)C(=O)O)O; O=C(O)C(CCCC CN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C |
(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid; EF6265 |
| 19437 | EF2 CHEMBL426123 ZINC000001530947 |
75 | C13 H10 N2 O4 | InChI=1S/C13H10N2O4/c16-1 0-6-5-9(11(17)14-10)15-12 (18)7-3-1-2-4-8(7)13(15)1 9/h1-4,9H,5-6H2,(H,14,16, 17)/t9-/m0/s1; UEJJHQNACJXSKW-VIFPVBQESA-N |
c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3= O; O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N 1; c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O ; O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N 1; O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O |
S-Thalidomide |
| 19438 | EF3 | 2 | C23 H27 F3 N6 O | InChI=1S/C23H27F3N6O/c1-3 0-7-9-32(10-8-30)6-3-11-3 3-21-5-4-16(12-17(21)23(2 4,25)26)18-13-20-22(19(14 -27)29-18)28-15-31(20)2/h 4-5,12-15,27H,3,6-11H2,1- 2H3/b27-14+; MZJARPQAOGJEES-MZJWZYIUSA-N |
[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F) OCCCN4CCN(CC4)C)n(cn2)C; CN1CCN(CCCOc2cc c(cc2C(F)(F)F)c3cc4n(C)cnc4c(C=N)n3)CC1; FC(F)(F)c4cc(c1nc(C=[N@H])c2ncn(c2c1)C) ccc4OCCCN3CCN(CC3)C; Cn1cnc2c1cc(nc2C=N) c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C |
(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine |
| 19439 | EF4 ZINC000263620315 |
12 | C45 H74 O10 | InChI=1S/C45H74O10/c1-12- 35-17-15-13-14-16-26(3)39 (48)30(7)41(50)32(9)43(52 )33(10)42(51)31(8)40(49)2 7(4)18-21-38(47)53-44-29( 6)36(20-19-35)54-45(34(44 )11)23-22-25(2)37(55-45)2 4-28(5)46/h13-15,17-18,21 ,25-37,39-40,43-44,46,48- 49,52H,12,16,19-20,22-24H 2,1-11H3/b14-13+,17-15+,2 1-18+/t25-,26+,27-,28+,29 +,30-,31-,32+,33-,34-,35- ,36-,37-,39-,40+,43-,44+, 45-/m0/s1; CMMLZMMKTYEOKV-RDKHTNMBSA-N |
CC[CH]1CC[CH]2O[C]3(CC[CH](C)[CH](C[CH]( C)O)O3)[CH](C)[CH](OC(=O)C=C[CH](C)[CH]( O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O) [CH](C)[CH](O)[CH](C)CC=CC=C1)[CH]2C; CC C1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC (=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC =C1)C)O)C)C)O)C)C)O)C)C; CC[C@@H]\1CC[C@ H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]( [C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@ @H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H ](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O )C)C)O)C)C)O)C)C; CC[C@@H]/1CC[C@@H]2O[C @]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H ](C)[C@H](OC(=O)/C=C/[C@H](C)[C@@H](O)[C @H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O )[C@@H](C)[C@@H](O)[C@H](C)C\C=C\C=C/1)[ C@@H]2C; CC(CC3OC2(C(C)C1C(C(CCC(C=CC=CC C(C(C(C(C(C(C(C(C(C(C(C=CC(O1)=O)C)O)C)= O)C)O)C)=O)C)O)C)CC)O2)C)CCC3C)O |
oligomycin C |
| 19440 | EF5 CHEMBL3105674 |
2 | C26 H22 N2 O4 S2 | InChI=1S/C26H22N2O4S2/c1- 2-34(31,32)21-15-13-18(14 -16-21)17-22(29)27-26-28- 23(19-9-5-3-6-10-19)25(33 -26)24(30)20-11-7-4-8-12- 20/h3-16H,2,17H2,1H3,(H,2 7,28,29); MDMLFHGEDDZHNU-UHFFFAOYSA-N |
CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3cc ccc3)c(n2)c4ccccc4)cc1; CCS(=O)(=O)c1ccc (cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4cc ccc4 |
2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide |
| 19441 | EF6 CHEMBL77517 DB06370 ZINC000000600748 |
6 | C14 H12 Cl N3 O4 S2 | InChI=1S/C14H12ClN3O4S2/c 15-12-8-17-14-11(12)2-1-3 -13(14)18-24(21,22)10-6-4 -9(5-7-10)23(16,19)20/h1- 8,17-18H,(H2,16,19,20); SETFNECMODOHTO-UHFFFAOYSA-N |
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S (=O)(=O)N)Cl; N[S](=O)(=O)c1ccc(cc1)[S]( =O)(=O)Nc2cccc3c(Cl)c[nH]c23; N(S(=O)(c1 ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl |
N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; Indisulam |
| 19442 | EF8 | 2 | C19 H37 N5 O5 P | InChI=1S/C19H36N5O5P/c1-4 -15(5-2)29-18-13-16(12-17 (20)19(18)23-14(3)25)30(2 6,27)28-11-9-7-6-8-10-22- 24-21/h13,15,17-19,21H,4- 12,20H2,1-3H3,(H-,23,25,2 6,27)/p+1/t17-,18+,19+/m0 /s1; SQYBSQHYIJSZEH-IPMKNSEASA-O |
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OCC CCCCN=[N+]=N; CCC(CC)O[C@@H]1C=C(C[C@@H] ([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N ; CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C )=O)[P](O)(=O)OCCCCCCN=[N+]=N; CCC(CC)O[ CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)O CCCCCCN=[N+]=N |
6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium |
| 19443 | EF9 CHEMBL4764352 |
1 | C10 H17 N O3 S | InChI=1S/C10H17NO3S/c1-7( 6-15)9(12)11-4-2-3-8(5-11 )10(13)14/h7-8,15H,2-6H2, 1H3,(H,13,14)/t7-,8+/m1/s 1; DZPFHBBJBWEEDM-SFYZADRCSA-N |
C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O; C[C@H ](CS)C(=O)N1CCC[C@@H](C1)C(O)=O; CC(CS)C (=O)N1CCCC(C1)C(=O)O; C[C@H](CS)C(=O)N1C CC[C@@H](C1)C(=O)O |
(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid |
| 19444 | EFA ZINC000098208825 |
6 | C12 H12 F N5 O3 | InChI=1S/C12H12FN5O3/c1-2 -6-16-10(14)7-11(17-6)18( 4-15-7)12-9(20)8(19)5(3-1 3)21-12/h1,4-5,8-9,12,19- 20H,3H2,(H2,14,16,17)/t5- ,8-,9-,12-/m1/s1; QQEYBKXSSQIJRJ-JJNLEZRASA-N |
C#Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N ; C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@ H]([C@H](O3)CF)O)O)N; Nc1nc(nc2n(cnc12)[ C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)C#C; Nc 1nc(nc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH] 3O)C#C; FCC3OC(n2cnc1c(nc(C#C)nc12)N)C(O )C3O |
5'-deoxy-2-ethynyl-5'-fluoroadenosine |
| 19445 | EFB ZINC000261504148 |
10 | C45 H72 O12 | InChI=1S/C45H72O12/c1-12- 33-17-15-13-14-16-25(3)42 (52)44(11,54)43(53)31(9)4 0(51)30(8)39(50)29(7)38(4 9)24(2)18-21-37(48)55-41- 28(6)34(20-19-33)56-45(32 (41)10)36(47)22-26(4)35(5 7-45)23-27(5)46/h13-15,17 -18,21,24-35,38,40-42,46, 49,51-52,54H,12,16,19-20, 22-23H2,1-11H3/b14-13+,17 -15+,21-18+/t24-,25+,26-, 27+,28+,29-,30-,31-,32-,3 3-,34-,35-,38+,40+,41+,42 -,44+,45+/m0/s1; QPRQJOHKNJIMGN-WVUAJZTGSA-N |
CC[CH]1CC[CH]2O[C]3(O[CH](C[CH](C)O)[CH] (C)CC3=O)[CH](C)[CH](OC(=O)C=C[CH](C)[CH ](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(= O)[C](C)(O)[CH](O)[CH](C)CC=CC=C1)[CH]2C ; CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([ C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C )O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C( =O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([ C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C; CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O) C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)CC2)C )(C)O)C)C)C(CC(C)C(O3)CC(C)O)=O; CCC1CCC 2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)C)OC( =O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC= C1)C)O)(C)O)C)O)C)C)O)C)C; CC[C@@H]/1CC[ C@@H]2O[C@@]3(O[C@@H](C[C@@H](C)O)[C@@H] (C)CC3=O)[C@@H](C)[C@H](OC(=O)/C=C/[C@H] (C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H]( O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H]( C)C\C=C\C=C/1)[C@@H]2C |
oligomycin B |
| 19446 | EFC ZINC000006360464 |
0 | C5 H10 F N O2 S2 | InChI=1S/C5H10FNO2S2/c6-1 -2-10-11-3-4(7)5(8)9/h4H, 1-3,7H2,(H,8,9)/t4-/m0/s1; KQUQTCUPTPNNHF-BYPYZUCNSA-N |
C(CSSCC(C(=O)O)N)F; C(CSSC[C@@H](C(=O)O) N)F; N[CH](CSSCCF)C(O)=O; N[C@@H](CSSCCF )C(O)=O; FCCSSCC(C(=O)O)N |
S,S-(2-FLUOROETHYL)THIOCYSTEINE |
| 19447 | EFD CHEMBL3989871 DB15011 |
1 | C33 H35 F4 N3 O2 | InChI=1S/C33H35F4N3O2/c1- 20-12-15-25(19-27(20)33(3 5,36)37)39-31(41)26-10-6- 18-40(32(42)29-21(2)7-5-1 1-28(29)34)30(26)22-13-16 -24(17-14-22)38-23-8-3-4- 9-23/h5,7,11-17,19,23,26, 30,38H,3-4,6,8-10,18H2,1- 2H3,(H,39,41)/t26-,30-/m0 /s1; PUKBOVABABRILL-YZNIXAGQSA-N |
C1N(C(C(CC1)C(Nc2ccc(c(c2)C(F)(F)F)C)=O) c3ccc(cc3)NC4CCCC4)C(c5c(cccc5F)C)=O; Cc 1ccc(NC(=O)[C@H]2CCCN([C@H]2c3ccc(NC4CCC C4)cc3)C(=O)c5c(C)cccc5F)cc1C(F)(F)F; Cc 1ccc(NC(=O)[CH]2CCCN([CH]2c3ccc(NC4CCCC4 )cc3)C(=O)c5c(C)cccc5F)cc1C(F)(F)F; Cc1c ccc(c1C(=O)N2CCCC(C2c3ccc(cc3)NC4CCCC4)C (=O)Nc5ccc(c(c5)C(F)(F)F)C)F; Cc1cccc(c1 C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCC C4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F |
avacopan; (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide |
| 19448 | EFE | 2 | C14 H14 Fe N2 O3 S2 | InChI=1S/C14H16N2O3S2.Fe/ c1-16-10(14(18)19)7-21-13 (16)9-6-20-12(15-9)8-4-2- 3-5-11(8)17;/h2-5,9-10,13 ,17H,6-7H2,1H3,(H,18,19); /q;+4/p-2/t9-,10+,13-;/m0 ./s1; CWTAFCSYRCPPIK-XBIQSCFXSA-L |
C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4 [Fe@]2(Oc6c5cccc6)OC3=O; CN1|2[CH]3CS[CH ]1[CH]4CSC5=[N+]4[Fe]|2(OC3=O)Oc6ccccc56 ; O=C4O[Fe]35Oc1c(cccc1)C=2SCC([N+]=23)C 6SCC4[N+]56C; CN1|2[C@@H]3CS[C@H]1[C@@H] 4CSC5=[N@@+]4[Fe]|2(OC3=O)Oc6ccccc56; C[ N+]12C3CSC1C4CSC5=[N+]4[Fe]2(Oc6c5cccc6) OC3=O |
ENANTIO-PYOCHELIN FE(III) |
| 19449 | EFF CHEMBL4759908 |
1 | C10 H18 N2 O2 S | InChI=1S/C10H18N2O2S/c1-7 (6-15)10(14)12-4-2-8(3-5- 12)9(11)13/h7-8,15H,2-6H2 ,1H3,(H2,11,13)/t7-/m1/s1; OHKVCMUJTCAISN-SSDOTTSWSA-N |
C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N; C[CH](C S)C(=O)N1CCC(CC1)C(N)=O; C[C@H](CS)C(=O) N1CCC(CC1)C(N)=O; CC(CS)C(=O)N1CCC(CC1)C (=O)N |
1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
| 19450 | EFG ZINC000098208826 |
0 | C12 H13 F N5 O7 P | InChI=1S/C12H13FN5O7P/c13 -6-8(19)5(3-24-26(21,22)2 3)25-11(6)18-4-15-7-9(20) 16-12-14-1-2-17(12)10(7)1 8/h1-2,4-6,8,11,19H,3H2,( H,14,16,20)(H2,21,22,23)/ t5-,6+,8-,11-/m1/s1; CNUAFEDIAQGGKR-WCGPTHBMSA-N |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2 cnc3C(=O)Nc4nccn4c23; O[C@H]1[C@H](F)[C@ @H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)Nc4 nccn4c23; c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@ H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F ; c1cn-2c(n1)NC(=O)c3c2n(cn3)C4C(C(C(O4) COP(=O)(O)O)O)F; O=P(O)(O)OCC4OC(n1cnc3c 1n2ccnc2NC3=O)C(F)C4O |
1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one; 2'-F-N2,3-etheno-2'-deoxyarabinoguanosine |
| 19451 | EFH | 1 | C28 H24 F N5 O4 | InChI=1S/C28H24FN5O4/c29- 19-5-3-4-17(14-19)25-26(1 8-8-9-23-24(15-18)38-16-3 7-23)33(27(25)35)20-10-12 -32(13-11-20)28(36)34-22- 7-2-1-6-21(22)30-31-34/h1 -9,14-15,20,25-26H,10-13, 16H2/t25-,26-/m1/s1; ZYBYLXKHKPMAIL-CLJLJLNGSA-N |
c1ccc2c(c1)nnn2C(=O)N3CCC(CC3)N4C(C(C4=O )c5cccc(c5)F)c6ccc7c(c6)OCO7; c1ccc2c(c1 )nnn2C(=O)N3CCC(CC3)N4[C@@H]([C@H](C4=O) c5cccc(c5)F)c6ccc7c(c6)OCO7; Fc1cccc(c1) [CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45 )C2=O)c6ccc7OCOc7c6; Fc1cccc(c1)[C@@H]2[ C@H](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O )c6ccc7OCOc7c6 |
(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one |
| 19452 | EFI | 1 | C16 H18 F3 N3 | InChI=1S/C16H18F3N3/c17-1 6(18,19)12-4-2-5-13(7-12) 21-15-6-1-3-11-8-22(10-20 )9-14(11)15/h2,4-5,7,11,1 4-15,21H,1,3,6,8-9H2/t11- ,14+,15-/m1/s1; GERZPMVLKADKPE-BYCMXARLSA-N |
c1cc(cc(c1)N[C@@H]2CCC[C@H]3[C@@H]2CN(C3 )C#N)C(F)(F)F; FC(F)(F)c1cccc(N[CH]2CCC[ CH]3CN(C[CH]23)C#N)c1; FC(F)(F)c1cccc(N[ C@@H]2CCC[C@@H]3CN(C[C@H]23)C#N)c1; FC(F )(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N; c1cc( cc(c1)NC2CCCC3C2CN(C3)C#N)C(F)(F)F |
(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile |
| 19453 | EFJ CHEMBL4164176 ZINC000001295324 |
1 | C16 H14 Br N5 S | InChI=1S/C16H14BrN5S/c1-9 -7-10(2)22-14(17)13(19-15 (22)18-9)8-23-16-20-11-5- 3-4-6-12(11)21-16/h3-7H,8 H2,1-2H3,(H,20,21); ALBNESBXBIORDS-UHFFFAOYSA-N |
Cc1cc(C)n2c(Br)c(CSc3[nH]c4ccccc4n3)nc2n 1; Cc1cc(n2c(c(nc2n1)CSc3[nH]c4ccccc4n3) Br)C |
2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine |
| 19454 | EFK | 2 | H Mo O2 | InChI=1S/Mo.H2O.O/h;1H2;/ q+1;;/p-1; VEWPYRVWJVBLDN-UHFFFAOYSA-M |
O[Mo]=O | oxidanyl(oxidanylidene)molybdenum |
| 19455 | EFL CHEMBL4288985 |
1 | C17 H17 Br N2 O5 S | InChI=1S/C17H17BrN2O5S/c1 -17(2)16(21)19-12-6-5-11( 9-14(12)25-17)20-26(22,23 )15-8-10(18)4-7-13(15)24- 3/h4-9,20H,1-3H3,(H,19,21 ); DZFJGVOWLQYSOW-UHFFFAOYSA-N |
CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc 3OC)Br)C; COc1c(cc(cc1)Br)S(Nc3cc2OC(C)( C)C(=O)Nc2cc3)(=O)=O; COc1ccc(Br)cc1[S]( =O)(=O)Nc2ccc3NC(=O)C(C)(C)Oc3c2 |
5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide |
| 19456 | EFM CHEMBL4283230 |
1 | C18 H19 Br N2 O6 S | InChI=1S/C18H19BrN2O6S/c1 -18(2)17(22)20-11-8-14(26 -4)12(9-15(11)27-18)21-28 (23,24)16-7-10(19)5-6-13( 16)25-3/h5-9,21H,1-4H3,(H ,20,22); BVPMJOFBUGYDAV-UHFFFAOYSA-N |
COc1cc2NC(=O)C(C)(C)Oc2cc1N[S](=O)(=O)c3 cc(Br)ccc3OC; COc2cc1NC(=O)C(Oc1cc2NS(=O )(c3cc(Br)ccc3OC)=O)(C)C; CC1(C(=O)Nc2cc (c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C |
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide |
| 19457 | EFN CHEMBL4287753 |
1 | C17 H17 Br N2 O6 S | InChI=1S/C17H17BrN2O6S/c1 -17(2)16(22)19-11-7-12(21 )10(8-14(11)26-17)20-27(2 3,24)15-6-9(18)4-5-13(15) 25-3/h4-8,20-21H,1-3H3,(H ,19,22); IYRFDVHTCZXWCB-UHFFFAOYSA-N |
COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3OC(C)(C)C (=O)Nc3cc2O; CC1(C(=O)Nc2cc(c(cc2O1)NS(= O)(=O)c3cc(ccc3OC)Br)O)C; COc1c(cc(cc1)B r)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3O)(=O)=O |
5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide |
| 19458 | EFO CHEMBL1255855 |
32 | C45 H74 O11 | InChI=1S/C45H74O11/c1-12- 34-17-15-13-14-16-27(4)42 (51)44(11,53)43(52)32(9)4 0(50)31(8)39(49)30(7)38(4 8)26(3)18-21-37(47)54-41- 29(6)35(20-19-34)55-45(33 (41)10)23-22-25(2)36(56-4 5)24-28(5)46/h13-15,17-18 ,21,25-36,38,40-42,46,48, 50-51,53H,12,16,19-20,22- 24H2,1-11H3/b14-13+,17-15 +,21-18+/t25-,26-,27+,28+ ,29+,30-,31-,32-,33-,34-, 35-,36-,38+,40+,41+,42-,4 4+,45-/m0/s1; MNULEGDCPYONBU-AWJDAWNUSA-N |
CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C) OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC= CC=C1)C)O)(C)O)C)O)C)C)O)C)C; CC[C@@H]\1 CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C @@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C= C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]( [C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1 )C)O)(C)O)C)O)C)C)O)C)C; CC[CH]1CC[CH]2O [C]3(CC[CH](C)[CH](C[CH](C)O)O3)[CH](C)[ CH](OC(=O)C=C[CH](C)[CH](O)[CH](C)C(=O)[ CH](C)[CH](O)[CH](C)C(=O)[C](C)(O)[CH](O )[CH](C)CC=CC=C1)[CH]2C; CC[C@@H]/1CC[C@ @H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O 3)[C@@H](C)[C@H](OC(=O)/C=C/[C@H](C)[C@@ H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H] (C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C\C=C \C=C/1)[C@@H]2C; O=C2C(O)(C)C(O)C(C)CC=C C=CC(CC)CCC3OC1(OC(C(CC1)C)CC(O)C)C(C)C( OC(=O)C=CC(C)C(O)C(C(=O)C(C)C(O)C2C)C)C3 C |
Oligomycin A; (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione |
| 19459 | EFP CHEMBL576502 |
1 | C18 H22 N4 O3 | InChI=1S/C18H22N4O3/c1-12 (23)20-14-8-15(9-14)22-10 -17(19-11-22)21-18(24)7-1 3-3-5-16(25-2)6-4-13/h3-6 ,10-11,14-15H,7-9H2,1-2H3 ,(H,20,23)(H,21,24)/t14-, 15+; PUVVKKBHOWNLRX-GASCZTMLSA-N |
O=C(NC3CC(n1cc(nc1)NC(=O)Cc2ccc(OC)cc2)C 3)C; COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH]( C3)NC(C)=O)cc1; CC(=O)NC1CC(C1)n2cc(nc2) NC(=O)Cc3ccc(cc3)OC; COc1ccc(CC(=O)Nc2cn (cn2)[C@@H]3C[C@@H](C3)NC(C)=O)cc1 |
N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide |
| 19460 | EFQ CHEMBL571781 ZINC000100752264 |
1 | C16 H19 N3 O3 | InChI=1S/C16H19N3O3/c1-22 -14-4-2-11(3-5-14)6-16(21 )18-15-9-19(10-17-15)12-7 -13(20)8-12/h2-5,9-10,12- 13,20H,6-8H2,1H3,(H,18,21 )/t12-,13+; SVPUOZWGAJVQMQ-BETUJISGSA-N |
COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH](O)C3) cc1; O=C(Nc1ncn(c1)C2CC(O)C2)Cc3ccc(OC)c c3; COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3) O; COc1ccc(CC(=O)Nc2cn(cn2)[C@H]3C[C@@H] (O)C3)cc1 |
N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide |
| 19461 | EFR CHEMBL4779672 |
1 | C11 H20 N2 O2 S | InChI=1S/C11H20N2O2S/c1-8 (7-16)11(15)13-4-2-9(3-5- 13)6-10(12)14/h8-9,16H,2- 7H2,1H3,(H2,12,14)/t8-/m1 /s1; MLLZAZRBSAVWPR-MRVPVSSYSA-N |
C[C@H](CS)C(=O)N1CCC(CC1)CC(N)=O; CC(CS) C(=O)N1CCC(CC1)CC(=O)N; C[C@H](CS)C(=O)N 1CCC(CC1)CC(=O)N; C[CH](CS)C(=O)N1CCC(CC 1)CC(N)=O |
2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
| 19462 | EFS DB03822 ZINC000005575803 |
8 | C2 H7 O4 P | InChI=1S/C2H7O4P/c1-2-6-7 (3,4)5/h2H2,1H3,(H2,3,4,5 ); ZJXZSIYSNXKHEA-UHFFFAOYSA-N |
O=P(O)(O)OCC; CCOP(=O)(O)O; CCO[P](O)(O) =O |
ETHYL DIHYDROGEN PHOSPHATE |
| 19463 | EFT ZINC000084722812 |
1 | C16 H19 N3 O | InChI=1S/C16H19N3O/c17-10 -12(8-11-4-2-1-3-5-11)16- 14-7-6-13(20)9-15(14)18-1 9-16/h6-7,9,11-12,20H,1-5 ,8H2,(H,18,19)/t12-/m0/s1; AOMNIOAFHKBEKZ-LBPRGKRZSA-N |
Oc1ccc2c([nH]nc2[CH](CC3CCCCC3)C#N)c1; N #CC(c2nnc1cc(O)ccc12)CC3CCCCC3; c1cc2c(c c1O)[nH]nc2C(CC3CCCCC3)C#N; Oc1ccc2c([nH ]nc2[C@@H](CC3CCCCC3)C#N)c1; c1cc2c(cc1O )[nH]nc2[C@@H](CC3CCCCC3)C#N |
(2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile |
| 19464 | EFU CHEMBL2042870 ZINC000084655222 |
1 | C24 H23 N3 O2 | InChI=1S/C24H23N3O2/c1-16 -7-6-10-18(11-16)12-21-19 -13-20(23(28)14-22(19)26- 25-21)24(29)27(2)15-17-8- 4-3-5-9-17/h3-11,13-14,28 H,12,15H2,1-2H3,(H,25,26); JTCGRDMMRLTULM-UHFFFAOYSA-N |
O=C(c1cc2c(cc1O)nnc2Cc3cccc(c3)C)N(Cc4cc ccc4)C; Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O )C(=O)N(C)Cc4ccccc4; CN(Cc1ccccc1)C(=O)c 2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O |
N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide |
| 19465 | EFV CHEMBL4127784 |
1 | C19 H16 N6 O3 | InChI=1S/C19H16N6O3/c1-27 -17-7-12(8-21-18(17)28-2) 15-4-3-14-16(23-15)11-25( 19(14)26)13-9-22-24(10-13 )6-5-20/h3-4,7-10H,6,11H2 ,1-2H3; GJYZEKGSGNPMLK-UHFFFAOYSA-N |
COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c 4)CC#N; COc1c(ncc(c1)c3ccc2C(N(Cc2n3)c4c n(nc4)CC#N)=O)OC; COc1cc(cnc1OC)c2ccc3C( =O)N(Cc3n2)c4cnn(CC#N)c4 |
{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile |
| 19466 | EFW ZINC000348228664 |
1 | C11 H15 N3 O2 | InChI=1S/C11H15N3O2/c12-1 1(16)7-1-4-10(13-6-7)14-8 -2-3-9(15)5-8/h1,4,6,8-9, 15H,2-3,5H2,(H2,12,16)(H, 13,14)/t8-,9-/m1/s1; PLJXPUZSPCVRPI-RKDXNWHRSA-N |
c1cc(ncc1C(=O)N)NC2CCC(C2)O; NC(=O)c1ccc (N[C@@H]2CC[C@@H](O)C2)nc1; c1cc(ncc1C(= O)N)N[C@@H]2CC[C@H](C2)O; O=C(c2cnc(NC1C C(O)CC1)cc2)N; NC(=O)c1ccc(N[CH]2CC[CH]( O)C2)nc1 |
6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide |
| 19467 | EFX CHEMBL4163232 ZINC000016947615 |
4 | C15 H12 O4 | InChI=1S/C15H12O4/c1-19-1 5(18)13-7-3-5-11(9-13)10- 4-2-6-12(8-10)14(16)17/h2 -9H,1H3,(H,16,17); CJWQBLCGSMIQJV-UHFFFAOYSA-N |
COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O; COC(= O)c1cccc(c1)c2cccc(c2)C(=O)O |
3-(3-methoxycarbonylphenyl)benzoic acid |
| 19468 | EFY ZINC000213550668 |
1 | C25 H29 N3 O3 | InChI=1S/C25H29N3O3/c1-24 (2,3)18-9-6-8-17(14-18)22 (29)26-16-25(12-4-5-13-25 )27-23(30)19-10-7-11-21-2 0(19)15-31-28-21/h6-11,14 -15H,4-5,12-13,16H2,1-3H3 ,(H,26,29)(H,27,30); ZVPHHRCZSPAOCC-UHFFFAOYSA-N |
CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O) c3cccc4nocc34; O=C(c1cccc(c1)C(C)(C)C)NC C4(NC(=O)c2cccc3nocc23)CCCC4; CC(C)(C)c1 cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3c on4 |
N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide |
| 19469 | EFZ CHEMBL223228 DB00625 ZINC000002020233 |
11 | C14 H9 Cl F3 N O2 | InChI=1S/C14H9ClF3NO2/c15 -9-3-4-11-10(7-9)13(14(16 ,17)18,21-12(20)19-11)6-5 -8-1-2-8/h3-4,7-8H,1-2H2, (H,19,20)/t13-/m0/s1; XPOQHMRABVBWPR-ZDUSSCGKSA-N |
c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C( F)(F)F; FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc 12)C#CC3CC3; FC(F)(F)C3(C#CC1CC1)OC(=O)N c2c3cc(Cl)cc2; FC(F)(F)[C]1(OC(=O)Nc2ccc (Cl)cc12)C#CC3CC3; c1cc2c(cc1Cl)C(OC(=O) N2)(C#CC3CC3)C(F)(F)F |
(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE; DMP-266; Efavirenz |
| 19470 | EG0 CHEMBL4793896 |
1 | C11 H19 N O3 S | InChI=1S/C11H19NO3S/c1-8( 7-16)11(15)12-4-2-9(3-5-1 2)6-10(13)14/h8-9,16H,2-7 H2,1H3,(H,13,14)/t8-/m1/s 1; FPXOJLHTOWZYDD-MRVPVSSYSA-N |
C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O; C[C@H]( CS)C(=O)N1CCC(CC1)CC(=O)O; C[C@H](CS)C(= O)N1CCC(CC1)CC(O)=O; CC(CS)C(=O)N1CCC(CC 1)CC(=O)O |
2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid |
| 19471 | EG1 CHEMBL1160416 ZINC000003871520 |
1 | C15 H24 N4 O6 S | InChI=1S/C15H24N4O6S/c16- 11-14(20)18-5-7-24-9-10-2 5-8-6-19-15(21)12-1-3-13( 4-2-12)26(17,22)23/h1-4H, 5-11,16H2,(H,18,20)(H,19, 21)(H2,17,22,23); OIKKGRHOXPAPMW-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCNC(=O)CN)c c1; c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O )(=O)N; NCC(=O)NCCOCCOCCNC(=O)c1ccc(cc1) [S](N)(=O)=O |
AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE |
| 19472 | EG2 DB02535 |
1 | C13 H21 N3 O5 S | InChI=1S/C13H21N3O5S/c14- 5-7-20-9-10-21-8-6-16-13( 17)11-1-3-12(4-2-11)22(15 ,18)19/h1-4H,5-10,14H2,(H ,16,17)(H2,15,18,19); QGGYVKRXFQLYQD-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1; c1c c(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N; NCCOCC OCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE |
| 19473 | EG3 CHEMBL1160965 DB07710 ZINC000053293458 |
1 | C22 H30 N4 O6 S | InChI=1S/C22H30N4O6S/c23- 20(16-17-4-2-1-3-5-17)22( 28)26-11-13-32-15-14-31-1 2-10-25-21(27)18-6-8-19(9 -7-18)33(24,29)30/h1-9,20 H,10-16,23H2,(H,25,27)(H, 26,28)(H2,24,29,30)/t20-/ m0/s1; QNZDHHNWUXIYOH-FQEVSTJZSA-N |
c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2 ccc(cc2)S(=O)(=O)N)N; N[C@@H](Cc1ccccc1) C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)[S](N)(=O) =O; O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC (=O)C(N)Cc2ccccc2; N[CH](Cc1ccccc1)C(=O) NCCOCCOCCNC(=O)c2ccc(cc2)[S](N)(=O)=O; c 1ccc(cc1)CC(C(=O)NCCOCCOCCNC(=O)c2ccc(cc 2)S(=O)(=O)N)N |
PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE |
| 19474 | EG5 | 1 | C35 H40 Cl N5 O7 | InChI=1S/C35H40ClN5O7/c1- 20(42)37-26(19-22-5-2-3-6 -25(22)36)30(43)39-17-4-1 5-35(39)16-13-24-9-11-27( 41(24)34(35)48)31(44)38-1 8-14-21-7-8-23-10-12-28(3 3(46)47)40(23)32(45)29(21 )38/h2-3,5-8,13,16,21,23- 24,26-29H,4,9-12,14-15,17 -19H2,1H3,(H,37,42)(H,46, 47)/t21-,23-,24-,26-,27-, 28+,29-,35+/m0/s1; AYDUPBNKBXOHLZ-LMFSJQDSSA-N |
CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C =C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[C H]7CC[CH](N7C(=O)[CH]56)C(O)=O; CC(=O)N[ C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@ @H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5 C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6; CC(=O )NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N4 C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)O)C= C6; CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC [C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC [C@@H]6C=C[C@H]7CC[C@@H](N7C(=O)[C@@H]56 )C(O)=O |
(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
| 19475 | EG6 | 1 | C15 H13 F3 N2 O4 S | InChI=1S/C15H13F3N2O4S/c1 -7-11(12(22)20-10(6-21)14 (23)24)25-13(19-7)8-2-4-9 (5-3-8)15(16,17)18/h2-5,1 0,21H,6H2,1H3,(H,20,22)(H ,23,24); YJGBVICLINVYSP-UHFFFAOYSA-N |
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO )C(=O)O; Cc1nc(sc1C(=O)N[CH](CO)C(O)=O)c 2ccc(cc2)C(F)(F)F; Cc1nc(sc1C(=O)N[C@@H] (CO)C(O)=O)c2ccc(cc2)C(F)(F)F; O=C(O)C(N C(=O)c1sc(nc1C)c2ccc(cc2)C(F)(F)F)CO |
N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine |
| 19476 | EG7 DB18019 |
1 | C24 H26 Cl F2 N5 O2 | InChI=1S/C24H26ClF2N5O2/c 1-14-10-21(31-30-14)29-20 -7-6-18(26)19(28-20)12-24 (23(33)34)8-9-32(15(2)11- 24)13-16-4-3-5-17(25)22(1 6)27/h3-7,10,15H,8-9,11-1 3H2,1-2H3,(H,33,34)(H2,28 ,29,30,31)/t15-,24-/m1/s1; YQQZZYYQTCPEAS-OYLFLEFRSA-N |
Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@ H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F; Cc1cc(n [nH]1)Nc2ccc(c(n2)CC3(CCN(C(C3)C)Cc4cccc (c4F)Cl)C(=O)O)F; C[C@@H]1C[C@](CCN1Cc2c ccc(Cl)c2F)(Cc3nc(Nc4cc(C)[nH]n4)ccc3F)C (O)=O; c1(cccc(c1F)Cl)CN2CCC(C(=O)O)(CC2 C)Cc3c(ccc(n3)Nc4cc(C)nn4)F; C[CH]1C[C]( CCN1Cc2cccc(Cl)c2F)(Cc3nc(Nc4cc(C)[nH]n4 )ccc3F)C(O)=O |
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid |
| 19477 | EG8 CHEMBL3547100 ZINC000263621229 |
6 | C17 H20 N6 | InChI=1S/C17H20N6/c1(3-15 -4-2-8-19-13-15)7-18-9-5- 16-6-10-21-17(22-16)23-12 -11-20-14-23/h2,4,6,8,10- 14,18H,1,3,5,7,9H2; XOWPXRYZDHLBEA-UHFFFAOYSA-N |
c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3; C(CNC Cc1ccnc(n1)n2ccnc2)Cc3cccnc3; n1ccc(nc1n 2ccnc2)CCNCCCc3cccnc3 |
N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine; N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine |
| 19478 | EGA CHEMBL4066285 ZINC000013544857 |
0 | C8 H16 O6 | InChI=1S/C8H16O6/c1-2-13- 8-7(12)6(11)5(10)4(3-9)14 -8/h4-12H,2-3H2,1H3/t4-,5 +,6+,7-,8-/m1/s1; WYUFTYLVLQZQNH-DWOUCZDBSA-N |
CCOC1C(C(C(C(O1)CO)O)O)O; CCO[C@H]1[C@@H ]([C@H]([C@H]([C@H](O1)CO)O)O)O; CCO[CH] 1O[CH](CO)[CH](O)[CH](O)[CH]1O; O(CC)C1O C(C(O)C(O)C1O)CO; CCO[C@@H]1O[C@H](CO)[C @H](O)[C@H](O)[C@H]1O |
ethyl beta-D-galactopyranoside; ethyl beta-D-galactoside; ethyl D-galactoside; ethyl galactoside |
| 19479 | EGB CHEMBL1213955 ZINC000022309237 |
2 | C16 H18 N2 O2 S | InChI=1S/C16H18N2O2S/c1-1 6(2)7-11-13(12(20)8-16)14 (18-15(21)17-11)9-4-3-5-1 0(19)6-9/h3-6,14,19H,7-8H 2,1-2H3,(H2,17,18,21)/t14 -/m0/s1; RUOOPLOUUAYNPY-AWEZNQCLSA-N |
CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C( =O)C1)C; O=C3C1=C(NC(=S)NC1c2cccc(O)c2)C C(C3)(C)C; CC1(CC2=C(C(NC(=S)N2)c3cccc(c 3)O)C(=O)C1)C; CC1(C)CC(=O)C2=C(C1)NC(=S )N[CH]2c3cccc(O)c3; CC1(C)CC(=O)C2=C(C1) NC(=S)N[C@H]2c3cccc(O)c3 |
(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE |
| 19480 | EGC ZINC000039470915 |
9 | C32 H58 O10 | InChI=1S/C32H58O10/c1-31( 2,3)28-32(4,5)29-6-8-30(9 -7-29)42-27-26-41-25-24-4 0-23-22-39-21-20-38-19-18 -37-17-16-36-15-14-35-13- 12-34-11-10-33/h6-9,33H,1 0-28H2,1-5H3; VJYAJQFKKLYARJ-UHFFFAOYSA-N |
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCC OCCOCCOCCO)cc1; CC(C)(C)CC(C)(C)c1ccc(cc 1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO; O(c1ccc( cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOC COCCOCCO |
2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL; TRITON X-100 |
| 19481 | EGD ZINC000002016764 |
0 | C3 H9 N3 | InChI=1S/C3H9N3/c1-2-6-3( 4)5/h2H2,1H3,(H4,4,5,6); KEWLVUBYGUZFKX-UHFFFAOYSA-N |
[H]N=C(N)NCC; CCNC(N)=N; [N@H]=C(N)NCC; [H]/N=C(\N)/NCC |
N-ETHYLGUANIDINE |
| 19482 | EGE | 1 | C18 H15 N5 O5 S | InChI=1S/C18H15N5O5S/c19- 14-10-16(24)13(18(25)26)9 -15(14)22-21-11-4-6-12(7- 5-11)29(27,28)23-17-3-1-2 -8-20-17/h1-10,24H,19H2,( H,20,23)(H,25,26)/b22-21+; KIEQFSOPBAHUOM-QURGRASLSA-N |
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c( cc3N)O)C(=O)O; Nc1cc(O)c(cc1N=Nc2ccc(cc2 )[S](=O)(=O)Nc3ccccn3)C(O)=O; c1ccnc(c1) NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C (=O)O |
4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid |
| 19483 | EGF | 1 | C33 H41 N5 O8 | InChI=1S/C33H41N5O8/c1-20 (2)27(36-31(41)25-18-21(3 )46-38-25)32(42)37-28-29( 22-10-6-4-7-11-22)45-17-9 -5-8-16-44-26(39)13-12-24 (35-33(28)43)19-23-14-15- 34-30(23)40/h4-8,10-13,18 ,20,23-24,27-29H,9,14-17, 19H2,1-3H3,(H,34,40)(H,35 ,43)(H,36,41)(H,37,42)/b8 -5+,13-12-/t23-,24+,27-,2 8-,29-/m0/s1; XPQNIWALCQRNAP-GPCDZKPZSA-N |
Cc1cc(no1)C(=O)NC(C(C)C)C(=O)NC2C(OCCC=C COC(=O)C=CC(NC2=O)CC3CCNC3=O)c4ccccc4; C C(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH ](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2 =O)c4ccccc4; CC(C)[C@H](NC(=O)c1cc(C)on1 )C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)\C=C/ [C@H](C[C@@H]3CCNC3=O)NC2=O)c4ccccc4; Cc 1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[ C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C [C@@H]3CCNC3=O)c4ccccc4 |
~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide |
| 19484 | EGG | 0 | C22 H18 O11 | InChI=1S/C22H18O11/c23-10 -5-12(24)11-7-18(33-22(31 )9-3-15(27)20(30)16(28)4- 9)21(32-17(11)6-10)8-1-13 (25)19(29)14(26)2-8/h1-6, 18,21,23-30H,7H2/t18-,21- /m1/s1; WMBWREPUVVBILR-WIYYLYMNSA-N |
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(c c3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O; Oc1cc( O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H ](Oc2c1)c4cc(O)c(O)c(O)c4; c1c(cc(c(c1O) O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c (c4)O)O)O; Oc1cc(O)c2C[CH](OC(=O)c3cc(O) c(O)c(O)c3)[CH](Oc2c1)c4cc(O)c(O)c(O)c4; O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)c c3O)c4cc(O)c(O)c(O)c4 |
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; epigallocatechin 3-gallate |
| 19485 | EGH ZINC000002469612 |
1 | C18 H17 Br F N O4 | InChI=1S/C18H17BrFNO4/c1- 23-14-8-13-16(18(25-3)17( 14)24-2)11(7-15(22)21-13) 10-6-9(19)4-5-12(10)20/h4 -6,8,11H,7H2,1-3H3,(H,21, 22)/t11-/m0/s1; PWBKGPVHXOKOOE-NSHDSACASA-N |
COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc( ccc3F)Br; COc1cc2NC(=O)C[CH](c3cc(Br)ccc 3F)c2c(OC)c1OC; COc1cc2NC(=O)C[C@@H](c3c c(Br)ccc3F)c2c(OC)c1OC; COc1cc2c(c(c1OC) OC)C(CC(=O)N2)c3cc(ccc3F)Br |
(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one |
| 19486 | EGI ZINC000001735154 |
1 | C7 H7 N O4 S | InChI=1S/C7H7NO4S/c1-2-12 -7(9)5-3-4-6(13-5)8(10)11 /h3-4H,2H2,1H3; COLIROLDWDCDLN-UHFFFAOYSA-N |
CCOC(=O)c1ccc(s1)[N+](=O)[O-]; CCOC(=O)c 1sc(cc1)[N+]([O-])=O |
ethyl 5-nitrothiophene-2-carboxylate |
| 19487 | EGJ | 1 | C27 H26 Cl F N4 O2 S | InChI=1S/C27H26ClFN4O2S/c 1-17-14-27(25(34)35,9-11- 33(17)16-19-6-4-8-21(28)2 4(19)29)15-22-20-7-3-2-5- 18(20)13-23(31-22)32-26-3 0-10-12-36-26/h2-8,10,12- 13,17H,9,11,14-16H2,1H3,( H,34,35)(H,30,31,32)/t17- ,27+/m0/s1; GKVNGMCPNCGMBE-CBZJRKILSA-N |
C[CH]1C[C](CCN1Cc2cccc(Cl)c2F)(Cc3nc(Nc4 sccn4)cc5ccccc35)C(O)=O; C[C@H]1C[C@](CC N1Cc2cccc(Cl)c2F)(Cc3nc(Nc4sccn4)cc5cccc c35)C(O)=O; c5ccc(CN1CCC(C(O)=O)(CC1C)Cc 2c4ccccc4cc(n2)Nc3sccn3)c(c5Cl)F; CC1CC( CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5 nccs5)C(=O)O; C[C@H]1C[C@](CCN1Cc2cccc(c 2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O |
(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid |
| 19488 | EGK | 1 | C16 H18 F3 N3 | InChI=1S/C16H18F3N3/c17-1 6(18,19)13-5-1-2-6-15(13) 21-14-7-3-4-11-8-22(10-20 )9-12(11)14/h1-2,5-6,11-1 2,14,21H,3-4,7-9H2/t11-,1 2+,14-/m1/s1; BAWNDWQWOFOQKR-MBNYWOFBSA-N |
c1ccc(c(c1)C(F)(F)F)NC2CCCC3C2CN(C3)C#N; FC(F)(F)c1ccccc1N[CH]2CCC[CH]3CN(C[CH]2 3)C#N; FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C #N; c1ccc(c(c1)C(F)(F)F)N[C@@H]2CCC[C@H] 3[C@@H]2CN(C3)C#N; FC(F)(F)c1ccccc1N[C@@ H]2CCC[C@@H]3CN(C[C@H]23)C#N |
(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile |
| 19489 | EGL | 0 | C2 H6 O2 | InChI=1/C2H6O2/c3-1-2-4/h 3-4H,1-2H2; LYCAIKOWRPUZTN-UHFFFAOYAD |
OCCO; C(CO)O | ETHYLENE GLYCOL |
| 19490 | EGM CHEMBL100768 ZINC000000132913 |
8 | C9 H10 O2 | InChI=1S/C9H10O2/c1-2-7-3 -5-8(6-4-7)9(10)11/h3-6H, 2H2,1H3,(H,10,11); ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
CCc1ccc(cc1)C(=O)O; O=C(O)c1ccc(cc1)CC; CCc1ccc(cc1)C(O)=O |
4-ethylbenzoic acid |
| 19491 | EGN | 1 | C23 H32 N3 O2 S | InChI=1S/C23H31N3O2S/c1-2 -26-20-11-7-6-10-19(20)21 (16-22(26)27)29-17-23(28) 25-14-12-24(13-15-25)18-8 -4-3-5-9-18/h6-7,10-11,16 ,18H,2-5,8-9,12-15,17H2,1 H3/p+1; ZOILQSINXFCIAF-UHFFFAOYSA-O |
CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC 3)C4CCCCC4; CCN1C(=O)C=C(SCC(=O)N2CC[NH+ ](CC2)C3CCCCC3)c4ccccc14 |
4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one |
| 19492 | EGO | 2 | C24 H18 Cl F N2 O3 | InChI=1S/C24H18ClFN2O3/c1 -15-13-27-28(23(15)17-7-9 -20(25)21(26)11-17)18-8-1 0-22(19(12-18)24(29)30)31 -14-16-5-3-2-4-6-16/h2-13 H,14H2,1H3,(H,29,30); NWWKXTLGLBRUHA-UHFFFAOYSA-N |
Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4 ccc(Cl)c(F)c4; Cc1cnn(c1c2ccc(c(c2)F)Cl) c3ccc(c(c3)C(=O)O)OCc4ccccc4 |
5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid |
| 19493 | EGP CHEMBL4163317 |
4 | C31 H39 N7 O2 S | InChI=1S/C31H39N7O2S/c1-3 5-10-12-36(13-11-35)20-24 -21-38(22-30(39)37-14-16- 40-17-15-37)29-18-25(6-7- 27(24)29)34-31(41)32-9-8- 23-19-33-28-5-3-2-4-26(23 )28/h2-7,18-19,21,33H,8-1 7,20,22H2,1H3,(H2,32,34,4 1); KSDJEFBPBCSCLA-UHFFFAOYSA-N |
CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c [nH]c5c4cccc5)CC(=O)N6CCOCC6; CN1CCN(CC1 )Cc2cn(CC(=O)N3CCOCC3)c4cc(NC(=S)NCCc5c[ nH]c6ccccc56)ccc24; n2(cc(CN1CCN(C)CC1)c 3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N 6CCOCC6 |
N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea |
| 19494 | EGR CHEMBL453196 ZINC000000021790 |
4 | C9 H10 O5 | InChI=1S/C9H10O5/c1-2-14- 9(13)5-3-6(10)8(12)7(11)4 -5/h3-4,10-12H,2H2,1H3; VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
CCOC(=O)c1cc(O)c(O)c(O)c1; CCOC(=O)c1cc( c(c(c1)O)O)O; O=C(OCC)c1cc(O)c(O)c(O)c1 |
ethyl 3,4,5-trihydroxybenzoate; ethyl gallate |
| 19495 | EGT CHEMBL47386 DB03823 ZINC000003870336 |
3 | C15 H14 O7 | InChI=1S/C15H14O7/c16-7-3 -9(17)8-5-12(20)15(22-13( 8)4-7)6-1-10(18)14(21)11( 19)2-6/h1-4,12,15-21H,5H2 /t12-,15-/m1/s1; XMOCLSLCDHWDHP-IUODEOHRSA-N |
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(c c3O2)O)O)O; O[C@@H]1Cc2c(O)cc(O)cc2O[C@@ H]1c3cc(O)c(O)c(O)c3; Oc1cc(cc(O)c1O)C3O c2cc(O)cc(O)c2CC3O; c1c(cc(c(c1O)O)O)C2C (Cc3c(cc(cc3O2)O)O)O; O[CH]1Cc2c(O)cc(O) cc2O[CH]1c3cc(O)c(O)c(O)c3 |
2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL; EPIGALLOCATECHIN |
| 19496 | EGU | 2 | C21 H16 Cl2 F N3 O4 S | InChI=1S/C21H16Cl2FN3O4S/ c1-26(16-7-14(22)15(24)6- 13(16)20(29)30)19(28)17-1 8(23)32-21(25-17)27-8-10- 3-4-12(31-2)5-11(10)9-27/ h3-7H,8-9H2,1-2H3,(H,29,3 0); LTJYYDAAQPZAGJ-UHFFFAOYSA-N |
CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2) N3Cc4ccc(cc4C3)OC)Cl; COc1ccc2CN(Cc2c1)c 3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O) =O |
4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid |
| 19497 | EGV | 8 | C6 H11 N3 O4 | InChI=1S/C6H11N3O4/c7-6(8 )9-2-3(10)1-4(11)5(12)13/ h3,10H,1-2H2,(H,12,13)(H4 ,7,8,9)/t3-/m0/s1; RPBOKETVUMOUHD-VKHMYHEASA-N |
C(C(CNC(=N)N)O)C(=O)C(=O)O; NC(=N)NC[CH] (O)CC(=O)C(O)=O; NC(=N)NC[C@@H](O)CC(=O) C(O)=O; C(O)(C(CC(CNC(=N)\N)O)=O)=O; [H] /N=C(/N)\NC[C@H](CC(=O)C(=O)O)O |
(4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid |
| 19498 | EGW CHEMBL4129789 |
2 | C25 H23 F N2 O3 | InChI=1S/C25H23FN2O3/c26- 21-8-4-17(5-9-21)18-12-14 -28(15-13-18)25(30)20-2-1 -3-23(16-20)31-22-10-6-19 (7-11-22)24(27)29/h1-11,1 6,18H,12-15H2,(H2,27,29); GKQVMMKXPPAKMY-UHFFFAOYSA-N |
c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC( CC3)c4ccc(cc4)F; NC(=O)c1ccc(Oc2cccc(c2) C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1 |
4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide |
| 19499 | EGX CHEMBL4594851 |
2 | C22 H19 N3 O2 | InChI=1S/C22H19N3O2/c26-2 1-17-4-1-2-5-18(17)22(27) 20-16(6-3-7-19(20)21)14-1 2-24-25(13-14)15-8-10-23- 11-9-15/h1-7,12-13,15,23H ,8-11H2; RUCYSQLKCYBLDW-UHFFFAOYSA-N |
O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCN CC5; c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn (c4)C5CCNCC5 |
1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione |
| 19500 | EGY | 37 | C33 H67 N O8 P | InChI=1S/C33H66NO8P/c1-6- 8-10-12-14-16-17-18-20-22 -24-26-33(36)42-31(30-41- 43(37,38)40-28-27-34(3,4) 5)29-39-32(35)25-23-21-19 -15-13-11-9-7-2/h31H,6-30 H2,1-5H3/p+1/t31-/m1/s1; GGHWXDCJHDYMKO-WJOKGBTCSA-O |
CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)C OP(=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCCCCC( =O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OC C[N+](C)(C)C; CCCCCCCCCCCCCC(=O)O[CH](CO C(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C )C; CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC CCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C; OP(=O )(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)O C(=O)CCCCCCCCCCCCC |
(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium |
| 19501 | EGZ | 1 | C18 H25 N O13 S | InChI=1S/C18H25NO13S/c20- 2-6-8(22)10(24)11(25)17(3 0-6)32-12-9(23)7(3-21)31- 18-14(12)33-13-5(29-18)1- 4(16(27)28)19-15(13)26/h4 ,6-12,14,17-18,20-25H,1-3 H2,(H,19,26)(H,27,28)/t4- ,6+,7+,8-,9-,10-,11+,12-, 14+,17-,18+/m0/s1; KSBRDJCDBWXRJR-MOOBIBRYSA-N |
C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H ]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H ]([C@H]([C@H](O4)CO)O)O)O)C(=O)O; OC[CH] 1O[CH](O[CH]2[CH](O)[CH](CO)O[CH]3OC4=C( S[CH]23)C(=O)N[CH](C4)C(O)=O)[CH](O)[CH] (O)[CH]1O; C1C(NC(=O)C2=C1OC3C(S2)C(C(C( O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O; O C[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO )O[C@H]3OC4=C(S[C@H]23)C(=O)N[C@@H](C4)C (O)=O)[C@H](O)[C@@H](O)[C@H]1O |
(3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid |
| 19502 | EH0 | 4 | C28 H21 Cl F2 N2 O9 | InChI=1S/C28H21ClF2N2O9/c 29-17-10-16(20(34)11-21(1 7)35)25-23(15-8-18(30)26( 19(31)9-15)41-7-1-2-22(36 )37)24(33-42-25)27(38)32- 12-13-3-5-14(6-4-13)28(39 )40/h3-6,8-11,34-35H,1-2, 7,12H2,(H,32,38)(H,36,37) (H,39,40); SZFDJLAHDKEQBS-UHFFFAOYSA-N |
c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O) Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O; OC (=O)CCCOc1c(F)cc(cc1F)c2c(onc2C(=O)NCc3c cc(cc3)C(O)=O)c4cc(Cl)c(O)cc4O |
4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid |
| 19503 | EH1 CHEMBL3593500 ZINC000001715188 |
2 | C13 H16 O2 | InChI=1S/C13H16O2/c14-13( 15)12-8-6-11(7-9-12)10-4- 2-1-3-5-10/h6-10H,1-5H2,( H,14,15); QCIWHVKGVVQHIY-UHFFFAOYSA-N |
c1cc(ccc1C2CCCCC2)C(=O)O; C1(CCCCC1)c2cc c(C(=O)O)cc2; OC(=O)c1ccc(cc1)C2CCCCC2 |
4-cyclohexylbenzoic acid |
| 19504 | EH2 ZINC000000173532 |
1 | C13 H10 O2 S | InChI=1S/C13H10O2S/c14-13 (15)12-6-2-1-4-10(12)7-8- 11-5-3-9-16-11/h1-9H,(H,1 4,15)/b8-7+; ISSJZCAENPGUEW-BQYQJAHWSA-N |
c1ccc(c(c1)/C=C/c2cccs2)C(=O)O; OC(=O)c1 ccccc1C=Cc2sccc2; OC(=O)c1ccccc1\C=C\c2s ccc2; c1ccc(c(c1)C=Cc2cccs2)C(=O)O |
2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid |
| 19505 | EH3 | 2 | C30 H34 Cl N3 O9 S | InChI=1S/C30H34ClN3O9S/c1 -44(40,41)34-12-10-21(11- 13-34)42-20-8-6-18(7-9-20 )26-27(29(37)32-16-17-2-4 -19(5-3-17)30(38)39)33-43 -28(26)22-14-23(31)25(36) 15-24(22)35/h6-9,14-15,17 ,19,21,35-36H,2-5,10-13,1 6H2,1H3,(H,32,37)(H,38,39 )/t17-,19+; AKZGGZLLGOJKMH-IZAXUBKRSA-N |
C[S](=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc 3C(=O)NC[C@H]4CC[C@H](CC4)C(O)=O)c5cc(Cl )c(O)cc5O; C[S](=O)(=O)N1CCC(CC1)Oc2ccc( cc2)c3c(onc3C(=O)NC[CH]4CC[CH](CC4)C(O)= O)c5cc(Cl)c(O)cc5O; CS(=O)(=O)N1CCC(CC1) Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O )O)c5cc(c(cc5O)O)Cl |
4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid |
| 19506 | EH5 DB03063 |
1 | C46 H51 N3 O10 | InChI=1S/C46H51N3O10/c1-5 5-40-25-33(26-41(56-2)43( 40)57-28-32-13-7-4-8-14-3 2)44(52)47-36(23-30-11-5- 3-6-12-30)37(50)27-48(21- 19-31-17-18-38-39(24-31)5 9-29-58-38)42(51)20-22-49 -45(53)34-15-9-10-16-35(3 4)46(49)54/h3-16,25-26,31 ,36-39,50H,17-24,27-29H2, 1-2H3,(H,47,52)/t31-,36-, 37-,38?,39?/m0/s1; PJQGNNQTZMYXOB-HAMMGQCISA-N |
O=C2c1ccccc1C(=O)N2CCC(=O)N(CC(O)C(NC(=O )c4cc(OC)c(OCc3ccccc3)c(OC)c4)Cc5ccccc5) CCC6CCC7OCOC7C6; COc1cc(cc(OC)c1OCc2cccc c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(CC [C@@H]4CC[C@@H]5OCO[C@@H]5C4)C(=O)CCN6C( =O)c7ccccc7C6=O; COc1cc(cc(c1OCc2ccccc2) OC)C(=O)NC(Cc3ccccc3)C(CN(CCC4CCC5C(C4)O CO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O; COc1cc (cc(OC)c1OCc2ccccc2)C(=O)N[CH](Cc3ccccc3 )[CH](O)CN(CC[CH]4CC[CH]5OCO[CH]5C4)C(=O )CCN6C(=O)c7ccccc7C6=O; COc1cc(cc(c1OCc2 ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](C N(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7cccc c7C6=O)O |
N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE |
| 19507 | EH6 CHEMBL4632412 |
1 | C19 H14 Cl N O2 | InChI=1S/C19H14ClNO2/c20- 15-10-6-12-17(18(15)13-7- 2-1-3-8-13)21-16-11-5-4-9 -14(16)19(22)23/h1-12,21H ,(H,22,23); TZKVOTHQTFDACW-UHFFFAOYSA-N |
OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3; c1c cc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O |
2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid |
| 19508 | EH8 CHEMBL5265919 |
1 | C15 H13 N3 | InChI=1S/C15H13N3/c1-18-1 1-17-14(12-5-3-2-4-6-12)1 5(18)13-7-9-16-10-8-13/h2 -11H,1H3; NSJCXUONRHOYTD-UHFFFAOYSA-N |
Cn1cnc(c1c2ccncc2)c3ccccc3; Cn1cnc(c2ccc cc2)c1c3ccncc3 |
4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine |
| 19509 | EH9 CHEMBL296435 DB07711 ZINC000001558334 |
5 | C14 H23 N5 O | InChI=1S/C14H23N5O/c1-3-4 -5-6-7-11(10(2)20)19-9-18 -12-13(15)16-8-17-14(12)1 9/h8-11,20H,3-7H2,1-2H3,( H2,15,16,17)/t10-,11+/m0/ s1; IOSAAWHGJUZBOG-WDEREUQCSA-N |
n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N; CCCCCC C(C(C)O)n1cnc2c1ncnc2N; CCCCCC[C@H]([C@H ](C)O)n1cnc2c1ncnc2N; CCCCCC[CH]([CH](C) O)n1cnc2c(N)ncnc12; CCCCCC[C@H]([C@H](C) O)n1cnc2c(N)ncnc12 |
(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol; Erythro-9-[3-(2-hydroxynonyl)] adenine; EHNA |
| 19510 | EHA CHEMBL201880 DB04689 ZINC000012504466 |
1 | C33 H31 N O5 | InChI=1S/C33H31NO5/c1-2-7 -29-28-13-10-26(33(37)23- 8-4-3-5-9-23)20-24(28)11- 15-31(29)39-19-6-18-38-27 -12-14-30-25(21-27)16-17- 34(30)22-32(35)36/h3-5,8- 17,20-21H,2,6-7,18-19,22H 2,1H3,(H,35,36); ZXWVCCFKIRBLDP-UHFFFAOYSA-N |
CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC (=O)O)C(=O)c5ccccc5; O=C(c1ccccc1)c5cc4c cc(OCCCOc2cc3c(cc2)n(cc3)CC(=O)O)c(c4cc5 )CCC; CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2 )ccc4cc(ccc14)C(=O)c5ccccc5 |
(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID; 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID |
| 19511 | EHB CHEMBL1232500 ZINC000058626729 |
4 | C12 H13 N O2 S | InChI=1S/C12H13NO2S/c1-3- 13-10-7-9(15)4-5-11(10)16 -12(13)6-8(2)14/h4-7,15H, 3H2,1-2H3/b12-6-; GCSZJMUFYOAHFY-SDQBBNPISA-N |
CCN1C(Sc2ccc(O)cc12)=CC(C)=O; CCN1c2cc(c cc2SC1=CC(=O)C)O; O=C(\C=C2/Sc1ccc(O)cc1 N2CC)C; CCN\1c2cc(ccc2S/C1=C\C(=O)C)O; C CN1\C(Sc2ccc(O)cc12)=C\C(C)=O |
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one |
| 19512 | EHC CHEMBL4632369 |
1 | C21 H16 Cl N O3 | InChI=1S/C21H16ClNO3/c22- 16-5-3-7-18(23-17-6-2-1-4 -15(17)21(24)25)20(16)14- 8-9-19-13(12-14)10-11-26- 19/h1-9,12,23H,10-11H2,(H ,24,25); LOEBSRSQBHSNFT-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)C CO4)Cl; OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc 4OCCc4c3 |
2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid |
| 19513 | EHD CHEMBL65 DB04690 ZINC000000105309 |
1 | C20 H16 N2 O4 | InChI=1S/C20H16N2O4/c1-2- 20(25)14-8-16-17-12(7-11- 5-3-4-6-15(11)21-17)9-22( 16)18(23)13(14)10-26-19(2 0)24/h3-8,25H,2,9-10H2,1H 3/t20-/m0/s1; VSJKWCGYPAHWDS-FQEVSTJZSA-N |
CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C 3=C2)O; CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4c c5ccccc5nc4C3=C2)O; CC[C]1(O)C(=O)OCC2=C 1C=C3N(Cc4cc5ccccc5nc34)C2=O; CC[C@@]1(O )C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O ; O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(c c3C4)cccc5 |
4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE; CAMPTOTHECIN |
| 19514 | EHE CHEMBL5270364 ZINC000072397705 |
1 | C16 H19 N3 O | InChI=1S/C16H19N3O/c1-12- 11-15(20)19(14-7-9-17-10- 8-14)18-16(12)13-5-3-2-4- 6-13/h2-6,11,14,17H,7-10H 2,1H3; TWZULJZXADJJPI-UHFFFAOYSA-N |
CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3 | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one |
| 19515 | EHF CHEMBL1205903 ZINC000003954245 |
2 | C20 H18 N2 O5 | InChI=1S/C20H18N2O5/c1-2- 20(27,19(25)26)14-8-16-17 -12(9-22(16)18(24)13(14)1 0-23)7-11-5-3-4-6-15(11)2 1-17/h3-8,23,27H,2,9-10H2 ,1H3,(H,25,26)/t20-/m0/s1; SARNOWGPKQIWFT-FQEVSTJZSA-N |
CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccc cc4nc3C2=C1; CC[C@@](O)(C(O)=O)C1=C(CO)C (=O)N2Cc3cc4ccccc4nc3C2=C1; CCC(C1=C(C(= O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O; C C[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)C O)(C(=O)O)O; O=C(O)C(O)(C=4C=C3c2nc1cccc c1cc2CN3C(=O)C=4CO)CC |
(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid; Camptothecin, open form |
| 19516 | EHG ZINC000098208831 |
0 | C12 H18 N5 O8 P | InChI=1S/C12H18N5O8P/c13- 12-15-10-9(11(16-12)23-2- 1-18)14-5-17(10)8-3-6(19) 7(25-8)4-24-26(20,21)22/h 5-8,18-19H,1-4H2,(H2,13,1 5,16)(H2,20,21,22)/t6-,7+ ,8+/m0/s1; LGYJNJBQWIFPAM-XLPZGREQSA-N |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2O CCO)N; Nc1nc(OCCO)c2ncn([CH]3C[CH](O)[CH ](CO[P](O)(O)=O)O3)c2n1; Nc1nc(OCCO)c2nc n([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 )c2n1; O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC O)N)CC3O; c1nc2c(n1[C@H]3C[C@@H]([C@H](O 3)COP(=O)(O)O)O)nc(nc2OCCO)N |
9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9H-purin-2-amine |
| 19517 | EHH | 1 | C18 H20 N4 | InChI=1S/C18H20N4/c1-12-8 -14(10-19)9-13(2)16(12)17 -18(22(3)11-21-17)15-4-6- 20-7-5-15/h4-9,11H,10,19H 2,1-3H3; LYFZPAXTPPYSEC-UHFFFAOYSA-N |
Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C; Cc1c c(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN |
[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine |
| 19518 | EHI CHEMBL3703517 ZINC000113424590 |
2 | C19 H19 N5 | InChI=1S/C19H19N5/c1-14-7 -6-12-24-19(14)21-17(22-2 4)10-11-18-20-16(13-23(18 )2)15-8-4-3-5-9-15/h3-9,1 2-13H,10-11H2,1-2H3; HEKVJERXQYDVFH-UHFFFAOYSA-N |
Cn1cc(nc1CCc2nn3cccc(C)c3n2)c4ccccc4; Cc 1cccn2c1nc(n2)CCc3nc(cn3C)c4ccccc4 |
8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine |
| 19519 | EHK | 1 | C15 H18 N4 O | InChI=1S/C15H18N4O/c1-11- 10-14(20)19(13-4-8-17-9-5 -13)18-15(11)12-2-6-16-7- 3-12/h2-3,6-7,10,13,17H,4 -5,8-9H2,1H3; DDBCCLBDEPERNR-UHFFFAOYSA-N |
CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3 | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one |
| 19520 | EHL CHEMBL1562819 ZINC000004704365 |
15 | C14 H10 N4 O4 S | InChI=1S/C14H10N4O4S/c1-8 -11(12(17-22-8)9-5-3-2-4- 6-9)13(19)16-14-15-7-10(2 3-14)18(20)21/h2-7H,1H3,( H,15,16,19); UYYQKLFHMYQRSN-UHFFFAOYSA-N |
Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+]( =O)[O-]; Cc1onc(c2ccccc2)c1C(=O)Nc3sc(cn 3)[N+]([O-])=O |
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide |
| 19521 | EHM CHEMBL117442 |
3 | C4 H9 N O5 | InChI=1S/C4H9NO5/c6-1-2(7 )3(8)4(9)5-10/h2-3,6-8,10 H,1H2,(H,5,9)/t2-,3-/m1/s 1; SJYJPXDRLWCEKB-PWNYCUMCSA-N |
C([C@H]([C@H](C(=O)NO)O)O)O; C(C(C(C(=O) NO)O)O)O; O=C(NO)C(O)C(O)CO; OC[CH](O)[C H](O)C(=O)NO; OC[C@@H](O)[C@@H](O)C(=O)N O |
(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE; D-ERYTHRONOHYDROXAMATE |
| 19522 | EHN | 0 | C2 H6 | InChI=1S/C2H6/c1-2/h1-2H3; OTMSDBZUPAUEDD-UHFFFAOYSA-N |
CC | ETHANE |
| 19523 | EHO CHEMBL23832 ZINC000000154642 |
2 | C13 H11 N O2 | InChI=1S/C13H11NO2/c15-13 (16)11-8-4-5-9-12(11)14-1 0-6-2-1-3-7-10/h1-9,14H,( H,15,16); ZWJINEZUASEZBH-UHFFFAOYSA-N |
c1ccc(cc1)Nc2ccccc2C(=O)O; OC(=O)c1ccccc 1Nc2ccccc2 |
2-phenylazanylbenzoic acid |
| 19524 | EHP | 0 | C9 H11 N O3 | InChI=1/C9H11NO3/c10-8(9( 12)13)5-6-2-1-3-7(11)4-6/ h1-4,8,11H,5,10H2,(H,12,1 3)/t8-/m0/s1/f/h12H; JZKXXXDKRQWDET-QAXLLPJCDO |
N[CH](Cc1cccc(O)c1)C(O)=O; c1cc(cc(c1)O) C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1cc(O)ccc1 ; c1cc(cc(c1)O)CC(C(=O)O)N; N[C@@H](Cc1c ccc(O)c1)C(O)=O |
3-HYDROXYPHENYLALANINE |
| 19525 | EHQ CHEMBL4749457 |
1 | C13 H12 N4 O | InChI=1S/C13H12N4O/c1-8-1 2(9(2)18-17-8)13-11(7-15- 16-13)10-3-5-14-6-4-10/h3 -7H,1-2H3,(H,15,16); JYTPHNOPQGAILG-UHFFFAOYSA-N |
Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3; Cc1on c(C)c1c2n[nH]cc2c3ccncc3 |
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole |
| 19526 | EHR CHEMBL4641484 ZINC000026897417 |
1 | C19 H15 N O2 | InChI=1S/C19H15NO2/c21-19 (22)16-11-5-7-13-18(16)20 -17-12-6-4-10-15(17)14-8- 2-1-3-9-14/h1-13,20H,(H,2 1,22); YKXRPQKGOAZEFQ-UHFFFAOYSA-N |
OC(=O)c1ccccc1Nc2ccccc2c3ccccc3; c1ccc(c c1)c2ccccc2Nc3ccccc3C(=O)O |
2-[(2-phenylphenyl)amino]benzoic acid |
| 19527 | EHS ZINC000142623932 |
3 | C20 H20 N2 O11 | InChI=1S/C20H20N2O11/c23- 7-11(21-17(28)9-3-1-5-13( 24)15(9)26)20(32)33-8-12( 19(30)31)22-18(29)10-4-2- 6-14(25)16(10)27/h1-6,11- 12,23-27H,7-8H2,(H,21,28) (H,22,29)(H,30,31)/t11-,1 2-/m0/s1; KLXJDVFEFZPIMN-RYUDHWBXSA-N |
OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H]( NC(=O)c2cccc(O)c2O)C(O)=O; c1cc(c(c(c1)O )O)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)c2cc cc(c2O)O; c1cc(c(c(c1)O)O)C(=O)N[C@@H](C O)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O) O; OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH] (NC(=O)c2cccc(O)c2O)C(O)=O |
2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID |
| 19528 | EHT | 1 | C14 H14 N4 O | InChI=1S/C14H14N4O/c1-9-1 2(10(2)19-17-9)13-14(18(3 )8-16-13)11-4-6-15-7-5-11 /h4-8H,1-3H3; XPQAEPLMWBAUIW-UHFFFAOYSA-N |
Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3; Cn1cn c(c1c2ccncc2)c3c(C)onc3C |
3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole |
| 19529 | EHU CHEMBL4644810 |
1 | C20 H17 Cl N2 O2 | InChI=1S/C20H17ClN2O2/c1- 22-17-12-11-16(18(19(17)2 1)13-7-3-2-4-8-13)23-15-1 0-6-5-9-14(15)20(24)25/h2 -12,22-23H,1H3,(H,24,25); RZIPOOPDWJBCHO-UHFFFAOYSA-N |
CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3; CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O |
2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid |
| 19530 | EHV | 1 | C11 H11 Br O4 | InChI=1S/C11H11BrO4/c1-6- 3-2-4-7(12)10(6)8(13)5-9( 14)11(15)16/h2-4,9,14H,5H 2,1H3,(H,15,16)/t9-/m0/s1; IVYZFNJLGIAMIT-VIFPVBQESA-N |
Cc1cccc(Br)c1C(=O)C[CH](O)C(O)=O; Cc1ccc c(c1C(CC(C(O)=O)O)=O)Br; Cc1cccc(Br)c1C( =O)C[C@H](O)C(O)=O; Cc1cccc(c1C(=O)CC(C( =O)O)O)Br; Cc1cccc(c1C(=O)C[C@@H](C(=O)O )O)Br |
(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid |
| 19531 | EHW | 1 | C18 H15 F N4 O | InChI=1S/C18H15FN4O/c1-10 -16(11(2)24-22-10)17-18(2 3(3)9-21-17)14-6-7-20-15- 8-12(19)4-5-13(14)15/h4-9 H,1-3H3; FOQLCYIBXICLES-UHFFFAOYSA-N |
Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C; Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4 )F |
4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole |
| 19532 | EHX | 1 | C12 H11 N O2 | InChI=1S/C12H11NO2/c14-15 -12-8-4-3-6-10(12)9-5-1-2 -7-11(9)13-12/h1-7,13-14H ,8H2/t12-/m1/s1; UZUUDVVIIUNBSP-GFCCVEGCSA-N |
c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO; OO[C@]1 2CC=CC=C1c3ccccc3N2; OO[C]12CC=CC=C1c3cc ccc3N2; c1ccc2c(c1)C3=CC=CCC3(N2)OO |
(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole |
| 19533 | EHY CHEMBL4175189 ZINC000000073047 |
4 | C14 H15 N3 S | InChI=1S/C14H15N3S/c18-14 (17-13-7-4-9-15-11-13)16- 10-8-12-5-2-1-3-6-12/h1-7 ,9,11H,8,10H2,(H2,16,17,1 8); VMCPIEORRRSZLR-UHFFFAOYSA-N |
S=C(NCCc1ccccc1)Nc2cccnc2; c1ccc(cc1)CCN C(Nc2cccnc2)=S; c1ccc(cc1)CCNC(=S)Nc2ccc nc2 |
N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
| 19534 | EHZ | 261 | C25 H49 N2 O9 P S | InChI=1S/C25H49N2O9PS/c1- 4-5-6-7-8-9-10-11-12-13-2 0(28)18-22(30)38-17-16-26 -21(29)14-15-27-24(32)23( 31)25(2,3)19-36-37(33,34) 35/h20,23,28,31H,4-19H2,1 -3H3,(H,26,29)(H,27,32)(H 2,33,34,35)/t20-,23-/m0/s 1; JYSKQPQRUCZFIQ-REWPJTCUSA-N |
CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C( C)(C)COP(=O)(O)O)O)O; CCCCCCCCCCC[CH](O) CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[ P](O)(O)=O; CCCCCCCCCCC[C@H](O)CC(=O)SCC NC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O) =O; CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCN C(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O |
~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate |
| 19535 | EI0 | 1 | C20 H26 O5 | InChI=1S/C20H26O5/c1-19(2 ,3)25-17(22)15-13-20(18(2 3)24-4,11-10-16(15)21)12- 14-8-6-5-7-9-14/h5-9,15H, 10-13H2,1-4H3/t15-,20-/m1 /s1; WAKMFGLCJLDCIS-FOIQADDNSA-N |
CC(C)(C)OC(=O)[C@@H]1C[C@@](CCC1=O)(Cc2c cccc2)C(=O)OC; CC(C)(C)OC(=O)C1CC(CCC1=O )(Cc2ccccc2)C(=O)OC; COC(=O)[C]1(CCC(=O) [CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2; COC(=O )[C@]1(CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C)C c2ccccc2; CC(C)(C)OC(=O)C1CC(Cc2ccccc2)( CCC1=O)C(=O)OC |
~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate |
| 19536 | EI1 CHEMBL180517 DB07712 ZINC000013609494 |
2 | C15 H14 N2 O2 | InChI=1S/C15H14N2O2/c1-2- 15-13-9-12(19)7-8-14(13)1 6-17(15)10-3-5-11(18)6-4- 10/h3-9,18-19H,2H2,1H3; XBMVVMYGKMGLJX-UHFFFAOYSA-N |
CCc1c2cc(ccc2nn1c3ccc(cc3)O)O; Oc3ccc(n2 nc1ccc(O)cc1c2CC)cc3; CCc1n(nc2ccc(O)cc1 2)c3ccc(O)cc3 |
3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL |
| 19537 | EI3 CHEMBL2205807 DB11932 ZINC000000403335 |
3 | C12 H12 N2 | InChI=1S/C12H12N2/c1-9-3- 5-11(13-7-9)12-6-4-10(2)8 -14-12/h3-8H,1-2H3; PTRATZCAGVBFIQ-UHFFFAOYSA-N |
Cc1ccc(nc1)c2ccc(cn2)C; Cc1ccc(nc1)c2ccc (C)cn2 |
5-methyl-2-(5-methylpyridin-2-yl)pyridine |
| 19538 | EI4 | 0 | C6 H12 N4 O2 | InChI=1S/C6H12N4O2/c7-4(5 (11)12)1-3-2-9-6(8)10-3/h 3-4H,1-2,7H2,(H,11,12)(H3 ,8,9,10)/t3-,4-/m0/s1; VFXRPXBQCNHQRQ-IMJSIDKUSA-N |
C1C(NC(=N)N1)CC(C(=O)O)N; N[C@@H](C[C@H] 1CNC(=N)N1)C(O)=O; N[CH](C[CH]1CNC(=N)N1 )C(O)=O; [H]/N=C\1/NC[C@@H](N1)C[C@@H](C (=O)O)N |
Enduracididine |
| 19539 | EI5 | 1 | C23 H23 Cl N2 O3 | InChI=1S/C23H23ClN2O3/c24 -20-8-2-6-18(13-20)22(27) 15-25-10-11-26-21-9-3-5-1 7(14-21)16-4-1-7-19(12-16 )23(28)29/h1-9,12-14,22,2 5-27H,10-11,15H2,(H,28,29 )/t22-/m1/s1; LLDXOPKUNJTIRF-JOCHJYFZSA-N |
c1cc(cc(c1)C(=O)O)c2cccc(c2)NCCNC[C@H](c 3cccc(c3)Cl)O; O[CH](CNCCNc1cccc(c1)c2cc cc(c2)C(O)=O)c3cccc(Cl)c3; c1cc(cc(c1)C( =O)O)c2cccc(c2)NCCNCC(c3cccc(c3)Cl)O; O[ C@H](CNCCNc1cccc(c1)c2cccc(c2)C(O)=O)c3c ccc(Cl)c3 |
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid |
| 19540 | EI7 CHEMBL312443 DB06554 ZINC000019795995 |
6 | C6 H8 N2 O2 | InChI=1S/C6H8N2O2/c9-6-4- 1-2-7-3-5(4)10-8-6/h7H,1- 3H2,(H,8,9); ZXRVKCBLGJOCEE-UHFFFAOYSA-N |
C1CNCC2=C1C(=O)NO2; O=C1NOC2=C1CCNC2 | 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one; gaboxadol |
| 19541 | EI8 | 4 | C23 H16 F N3 O5 S2 | InChI=1S/C23H16FN3O5S2/c2 4-33(29,30)20-2-1-3-21(13 -20)34(31,32)27(15-17-6-4 -16(14-25)5-7-17)19-9-8-1 8-10-11-26-23(28)22(18)12 -19/h1-13H,15H2,(H,26,28); VDEDGNULGMBOAN-UHFFFAOYSA-N |
C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S( c4cc(S(=O)(=O)F)ccc4)(=O)=O; c1cc(cc(c1) S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3c cc4c(c3)C(=O)NC=C4; F[S](=O)(=O)c1cccc(c 1)[S](=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4C=CN C(=O)c4c3 |
3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride |
| 19542 | EI9 | 4 | C21 H16 F N3 O5 S2 | InChI=1S/C21H16FN3O5S2/c2 2-31(27,28)18-2-1-3-19(13 -18)32(29,30)25(14-15-6-9 -23-10-7-15)17-5-4-16-8-1 1-24-21(26)20(16)12-17/h1 -13H,14H2,(H,24,26); YZXHBGDGBOTODO-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccnc c2)c3ccc4c(c3)C(=O)NC=C4; F[S](=O)(=O)c1 cccc(c1)[S](=O)(=O)N(Cc2ccncc2)c3ccc4C=C NC(=O)c4c3; C1(=O)NC=Cc2c1cc(cc2)N(Cc3cc ncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O |
3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride |
| 19543 | EIA | 3 | C29 H38 N2 O4 | InChI=1S/C29H38N2O4/c1-3- 18-16(2)14-22-20(18)10-11 -21-19-6-4-8-26(33)30-13- 5-7-24-28(34)27(29(35)31- 24)25(32)12-9-17(19)15-23 (21)22/h4,8-12,16-24,32H, 3,5-7,13-15H2,1-2H3,(H,30 ,33)(H,31,35)/b8-4-,12-9+ ,27-25-/t16-,17-,18-,19+, 20+,21-,22+,23+,24+/m1/s1; GHXZHWYUSAWISC-KZRBWAKNSA-N |
CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4/C =C/C(=C5/C(=O)N[C@@H](CCCNC(=O)\C=C/C[C@ @H]4[C@H]3C=C[C@@H]12)C5=O)O; CCC1C(CC2C 1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(=C(C= C4)O)C(=O)N5)C; CC[C@@H]1[C@@H](C[C@H]2[ C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C =C\C(=O)NCCC[C@H]5C(=O)/C(=C(\C=C4)/O)/C (=O)N5)C; CC[CH]1[CH](C)C[CH]2[CH]3C[CH] 4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[C H]3C=C[CH]12)C5=O)O |
(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione; ikarugamycin |
| 19544 | EIB | 1 | C24 H32 O9 | InChI=1S/C24H32O9/c1-13(8 -9-25)23(28)32-21-11-18(1 2-30-16(4)26)6-7-19(31-17 (5)27)14(2)10-20-22(21)15 (3)24(29)33-20/h6,8,10,15 ,19-22,25H,7,9,11-12H2,1- 5H3/b13-8+,14-10+,18-6-/t 15-,19-,20+,21+,22-/m0/s1; OODVVMBLOMLDHK-QIQWNYEBSA-N |
CC1C2C(CC(=CCC(C(=CC2OC1=O)C)OC(=O)C)COC (=O)C)OC(=O)C(=CCO)C; C[CH]1[CH]2[CH](CC (=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C) =O)OC(=O)C(C)=CCO; C[C@H]1[C@@H]2[C@@H]( C\C(=C\C[C@H](OC(C)=O)/C(=C/[C@H]2OC1=O) C)COC(C)=O)OC(=O)/C(C)=C/CO; C[C@H]1[C@@ H]2[C@@H](C/C(=C/C[C@@H](/C(=C/[C@H]2OC1 =O)/C)OC(=O)C)/COC(=O)C)OC(=O)/C(=C/CO)/ C |
[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate; Bound form of Eupalinolide B |
| 19545 | EIC CHEMBL267476 DB14104 ZINC000004474613 |
128 | C18 H32 O2 | InChI=1S/C18H32O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h6-7, 9-10H,2-5,8,11-17H2,1H3,( H,19,20)/b7-6-,10-9-; OYHQOLUKZRVURQ-HZJYTTRNSA-N |
CCCCCC=CCC=CCCCCCCCC(O)=O; CCCCC/C=C\C\C =C/CCCCCCCC(O)=O; CCCCC\C=C/C\C=C/CCCCCC CC(=O)O; CCCCCC=CCC=CCCCCCCCC(=O)O; O=C( O)CCCCCCC\C=C/C\C=C/CCCCC |
LINOLEIC ACID; 9,12-LINOLEIC ACID |
| 19546 | EID CHEMBL28198 DB09174 ZINC000004216763 |
1 | C25 H32 N2 O3 | InChI=1S/C25H32N2O3/c1-4- 23(28)27(22-13-9-6-10-14- 22)25(24(29)30-3)16-18-26 (19-20(25)2)17-15-21-11-7 -5-8-12-21/h5-14,20H,4,15 -19H2,1-3H3/t20-,25+/m1/s 1; IMYHGORQCPYVBZ-NLFFAJNJSA-N |
CCC(=O)N(c1ccccc1)[C@]2(CCN(CCc3ccccc3)C [C@H]2C)C(=O)OC; CCC(=O)N(c1ccccc1)[C]2( CCN(CCc3ccccc3)C[CH]2C)C(=O)OC; O=C(OC)C 1(CCN(CCc2ccccc2)CC1C)N(c1ccccc1)C(=O)CC ; CCC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)C Cc3ccccc3)C(=O)OC; CCC(=O)N(c1ccccc1)C2( CCN(CC2C)CCc3ccccc3)C(=O)OC |
Lofentanil; methyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate |
| 19547 | EIE CHEMBL6597 ZINC000008022464 |
12 | C15 H14 N6 O3 | InChI=1S/C15H14N6O3/c1-3- 24-15(23)13-12-7-20(2)14( 22)10-6-9(18-19-16)4-5-11 (10)21(12)8-17-13/h4-6,8H ,3,7H2,1-2H3; CFSOJZTUTOQNIA-UHFFFAOYSA-N |
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(ccc23)N=[ N+]=[N-]; CCOC(=O)c1c2n(cn1)-c3ccc(cc3C( =O)N(C2)C)N=[N+]=[N-] |
ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
| 19548 | EIF | 10 | C11 H15 F N5 O7 P | InChI=1S/C11H15FN5O7P/c1- 11(12)6(18)4(2-23-25(20,2 1)22)24-9(11)17-3-14-5-7( 17)15-10(13)16-8(5)19/h3- 4,6,9,18H,2H2,1H3,(H2,20, 21,22)(H3,13,15,16,19)/t4 -,6-,9-,11-/m1/s1; BOEZKCHYGLAVGV-GITKWUPZSA-N |
C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1 n2cnc3C(=O)NC(=Nc23)N; C[C@@]1(F)[C@H](O )[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O) NC(=Nc23)N; C[C@]1([C@@H]([C@H](O[C@H]1n 2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F; CC1( C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O )F |
[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 19549 | EIG | 1 | C23 H30 N2 O5 | InChI=1S/C23H30N2O5/c1-5- 14-12-25-10-9-23(19(25)11 -15(14)16(13-28-2)22(27)3 0-4)21(26)20-17(24-23)7-6 -8-18(20)29-3/h6-8,13-15, 19,24H,5,9-12H2,1-4H3/b16 -13+/t14?,15-,19-,23-/m0/ s1; BAEJBRCYKACTAA-PAIVRBTDSA-N |
CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C @@H]2C[C@@H]1\C(=C/OC)C(=O)OC; CCC1CN2CC C3(C2CC1C(=COC)C(=O)OC)C(=O)c4c(cccc4OC) N3; CCC1CN2CC[C@]3([C@@H]2CC1/C(=C\OC)/C (=O)OC)C(=O)c4c(cccc4OC)N3; CC[CH]1CN2CC [C]3(Nc4cccc(OC)c4C3=O)[CH]2C[CH]1C(=COC )C(=O)OC; O=C(OC)C(=C\OC)\C1CC2N(CC1CC)C CC21Nc2cccc(OC)c2C1=O |
Mitragynine pseudoindoxyl; methyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate |
| 19550 | EIH CHEMBL3700126 ZINC000113419568 |
2 | C17 H15 N5 S | InChI=1S/C17H15N5S/c1-21- 11-14(13-7-3-2-4-8-13)18- 16(21)12-23-17-19-15-9-5- 6-10-22(15)20-17/h2-11H,1 2H2,1H3; TTYKNXUXXPKQBV-UHFFFAOYSA-N |
Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4; Cn1cc (nc1CSc2nc3ccccn3n2)c4ccccc4 |
2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine |
| 19551 | EII | 1 | C22 H30 N4 O4 | InChI=1S/C22H30N4O4/c23-2 1-20(19(25-22(24)26-21)16 -8-2-1-3-9-16)30-14-6-13- 29-17-10-5-4-7-15(17)11-1 2-18(27)28/h4-5,7,10,16H, 1-3,6,8-9,11-14H2,(H,27,2 8)(H4,23,24,25,26); LMSJEWOKYLUOAL-UHFFFAOYSA-N |
Nc1nc(C2CCCCC2)c(OCCCOc2ccccc2CCC(=O)O)c (N)n1; c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(n c2N)N)C3CCCCC3; Nc1nc(N)c(OCCCOc2ccccc2C CC(O)=O)c(n1)C3CCCCC3 |
3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
| 19552 | EIJ | 3 | C47 H83 O13 P | InChI=1S/C47H83O13P/c1-3- 5-7-9-11-13-15-17-19-20-2 2-24-26-28-30-32-34-36-41 (49)59-39(38-58-61(55,56) 60-47-45(53)43(51)42(50)4 4(52)46(47)54)37-57-40(48 )35-33-31-29-27-25-23-21- 18-16-14-12-10-8-6-4-2/h1 1,13,17,19,22,24,28,30,39 ,42-47,50-54H,3-10,12,14- 16,18,20-21,23,25-27,29,3 1-38H2,1-2H3,(H,55,56)/b1 3-11+,19-17+,24-22+,30-28 +/t39-,42-,43-,44+,45-,46 +,47-/m0/s1; KRTOMQDUKGRFDJ-ROVRCULJSA-N |
OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O )CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C\C\C=C\C \C=C\C\C=C\CCCCC; CCCCCCCCCCCCCCCCCC(=O) OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H ]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/ C=C/C/C=C/CCCCC; CCCCCCCCCCCCCCCCCC(=O)O C[C@@H](CO[P](O)(=O)O[C@H]1[C@@H](O)[C@@ H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\ C=C\C\C=C\C\C=C\C\C=C\CCCCC; CCCCCCCCCCC CCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O) O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC; C CCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O) O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O )OC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate |
| 19553 | EIK CHEMBL2180414 ZINC000068196991 |
6 | C19 H20 N6 | InChI=1S/C19H20N6/c1-13-1 1-20-14(2)19-22-17(23-25( 13)19)9-10-18-21-16(12-24 (18)3)15-7-5-4-6-8-15/h4- 8,11-12H,9-10H2,1-3H3; NBKCQLCLNHGTJU-UHFFFAOYSA-N |
Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C; Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4 |
5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine |
| 19554 | EIL | 1 | C13 H15 N2 O7 P | InChI=1S/C13H15N2O7P/c1-7 -3-11(13(17)22-7)15-5-10- 9(6-21-23(18,19)20)4-14-8 (2)12(10)16/h3-4,16H,5-6H 2,1-2H3,(H2,18,19,20)/b15 -11+; SDTUNOOKUCGPLI-RVDMUPIBSA-N |
CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C( =O)O1; Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2C=C (OC2=O)C)O |
[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 19555 | EIM ZINC000095920576 |
1 | C28 H46 O4 | InChI=1S/C28H46O4/c1-18(9 -7-13-27(3,4)31)23-17-25( 32-6)26-20(10-8-14-28(23, 26)5)11-12-21-15-22(29)16 -24(30)19(21)2/h11-12,18, 22-26,29-31H,2,7-10,13-17 H2,1,3-6H3/b20-11+,21-12- /t18-,22-,23-,24+,25+,26- ,28-/m1/s1; MKYCMLKYANTZFR-GSVKQXOCSA-N |
C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\ 2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3 =C)O)O)C)OC; CO[C@H]1C[C@H]([C@H](C)CCCC (C)(C)O)[C@@]2(C)CCC\C(=C/C=C3/C[C@@H](O )C[C@H](O)C3=C)[C@H]12; CO[CH]1C[CH]([CH ](C)CCCC(C)(C)O)[C]2(C)CCCC(=CC=C3C[CH]( O)C[CH](O)C3=C)[CH]12; OC3C(=C)/C(=C\C=C 1/CCCC2(C(CC(OC)C12)C(C)CCCC(O)(C)C)C)CC (O)C3; CC(CCCC(C)(C)O)C1CC(C2C1(CCCC2=CC =C3CC(CC(C3=C)O)O)C)OC |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 19556 | EIN CHEMBL382201 DB07713 ZINC000013680269 |
1 | C17 H22 N O6 P S | InChI=1S/C17H22NO6PS/c1-1 2(2)17(25(19,20)21)18-26( 22,23)16-10-6-14(7-11-16) 13-4-8-15(24-3)9-5-13/h4- 12,17-18H,1-3H3,(H2,19,20 ,21)/t17-/m0/s1; BZVYQWLRCHLAGK-KRWDZBQOSA-N |
CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC) P(=O)(O)O; O=P(O)(O)C(NS(=O)(=O)c2ccc(c1 ccc(OC)cc1)cc2)C(C)C; CC(C)[C@@H](NS(=O) (=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O; CO c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C )C)[P](O)(O)=O; COc1ccc(cc1)c2ccc(cc2)[S ](=O)(=O)N[C@H](C(C)C)[P](O)(O)=O |
(1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID |
| 19557 | EIO | 1 | C13 H20 N5 O2 S2 | InChI=1S/C13H20N5O2S2/c1- 9-8-20-6-5-18(9)11-7-10(1 6-12(17-11)21-2)13(3-4-13 )22(14,15)19/h7,9,14-15H, 3-6,8H2,1-2H3/q+1/t9-/m1/ s1; IBTBNJWCWMILQN-SECBINFHSA-N |
CC1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(= N)=O; NS(N)(O)C1(CC1)c1cc(nc(SC)n1)N1CCO CC1C; CSc1nc(cc(n1)C2(CC2)[S+](=N)(=N)=O )N3CCOC[CH]3C; C[C@@H]1COCCN1c2cc(nc(n2) SC)C3(CC3)[S+](=N)(=N)=O; CSc1nc(cc(n1)C 2(CC2)[S+](=N)(=N)=O)N3CCOC[C@H]3C |
(3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine |
| 19558 | EIP DB01799 ZINC000002047413 |
12 | C5 H14 O8 P2 | InChI=1S/C5H14O8P2/c1-5(4 -6)2-3-12-15(10,11)13-14( 7,8)9/h5-6H,2-4H2,1H3,(H, 10,11)(H2,7,8,9)/t5-/m0/s 1; URURINNTPGGDIV-YFKPBYRVSA-N |
C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO; C[C H](CO)CCO[P](O)(=O)O[P](O)(O)=O; C[C@H]( CO)CCO[P@@](O)(=O)O[P](O)(O)=O; O=P(OP(= O)(OCCC(CO)C)O)(O)O; CC(CCOP(=O)(O)OP(=O )(O)O)CO |
4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE |
| 19559 | EIQ ZINC000005260276 |
4 | C18 H16 N2 O2 S | InChI=1S/C18H16N2O2S/c21- 23(22,18-4-2-1-3-5-18)20- 17-8-6-15(7-9-17)14-16-10 -12-19-13-11-16/h1-13,20H ,14H2; CFLHYDJOEWYNKS-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3; O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3 |
~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide |
| 19560 | EIS ZINC000085587883 |
11 | C36 H69 N O11 S | InChI=1S/C36H69NO11S/c1-3 -5-7-9-11-13-14-15-16-18- 19-21-23-25-30(39)29(37-3 2(40)26-24-22-20-17-12-10 -8-6-4-2)28-46-36-34(42)3 5(48-49(43,44)45)33(41)31 (27-38)47-36/h23,25,29-31 ,33-36,38-39,41-42H,3-22, 24,26-28H2,1-2H3,(H,37,40 )(H,43,44,45)/b25-23+/t29 -,30+,31+,33-,34+,35-,36+ /m0/s1; FWVDYZZBQLRRDU-AZNTWQPMSA-N |
O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCC CCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO; CCCCC CCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C @H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H] 1O)NC(=O)CCCCCCCCCCC; CCCCCCCCCCCCCC=CC( C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(= O)CCCCCCCCCCC)O; CCCCCCCCCCCCCC=C[CH](O) [CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O) (=O)=O)[CH]1O)NC(=O)CCCCCCCCCCC; CCCCCCC CCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H ]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(= O)CCCCCCCCCCC)O |
N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide |
| 19561 | EIT DB04691 ZINC000058650408 |
0 | C15 H21 N4 O9 P | InChI=1S/C15H21N4O9P/c1-9 -6-19(15(22)17-13(9)21)14 -12(26-5-4-18-3-2-16-8-18 )11(20)10(28-14)7-27-29(2 3,24)25/h2-3,6,8,10-12,14 ,20H,4-5,7H2,1H3,(H,17,21 ,22)(H2,23,24,25)/t10-,11 -,12-,14-/m1/s1; WIDKIMZIZVKQGR-HKUMRIAESA-N |
CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H ](O)[C@H]2OCCn3ccnc3)C(=O)NC1=O; O=C1NC( =O)N(C=C1C)C3OC(C(O)C3OCCn2ccnc2)COP(=O) (O)O; CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@ @H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3; C C1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C H]2OCCn3ccnc3)C(=O)NC1=O; CC1=CN(C(=O)NC 1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCn3ccnc3 |
((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE; 2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE |
| 19562 | EIU | 1 | C29 H40 N2 O5 | InChI=1S/C29H40N2O5/c1-3- 18-15-20-16-19-9-4-7-13-2 4(34)30-14-8-10-21-28(35) 27(29(36)31-21)23(33)12-6 -5-11-22(32)26(19)25(20)1 7(18)2/h4-7,11-12,17-22,2 5-26,32-33H,3,8-10,13-16H 2,1-2H3,(H,30,34)(H,31,36 )/b7-4+,11-5+,12-6+,27-23 -/t17-,18+,19-,20+,21-,22 -,25+,26-/m0/s1; UNMSMRGQUYVPSQ-MINDFHNRSA-N |
CCC1CC2CC3CC=CCC(=O)NCCCC4C(=O)C(=C(C=CC =CC(C3C2C1C)O)O)C(=O)N4; CC[CH]1C[CH]2C[ CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC =C[CH](O)[CH]3[CH]2[CH]1C)C4=O; CC[C@@H] 1C[C@@H]2C[C@@H]3C/C=C/CC(=O)NCCC[C@H]4C (=O)/C(=C(\C=C\C=C\[C@@H]([C@H]3[C@@H]2[ C@H]1C)O)/O)/C(=O)N4; CC[C@@H]1C[C@@H]2C [C@@H]3C/C=C/CC(=O)NCCC[C@@H]4NC(=O)\C(= C(O)\C=C\C=C\[C@H](O)[C@H]3[C@@H]2[C@H]1 C)C4=O |
(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione |
| 19563 | EIV CHEMBL454026 ZINC000008294935 |
0 | C4 H5 N3 O2 | InChI=1S/C4H5N3O2/c1-6-3- 5-2-4(6)7(8)9/h2-3H,1H3; JLZXSFPSJJMRIX-UHFFFAOYSA-N |
[O-][N+](=O)c1cncn1C; Cn1cncc1[N+]([O-]) =O; Cn1cncc1[N+](=O)[O-] |
1-methyl-5-nitro-1H-imidazole |
| 19564 | EIW | 4 | C102 H186 N2 O44 P2 | InChI=1S/C102H186N2O44P2/ c1-7-13-19-25-29-32-35-39 -44-50-66(109)56-79(117)1 41-94-81(103-75(113)55-65 (108)49-43-24-18-12-6)98( 148-150(131,132)133)139-7 3(84(94)120)63-134-97-82( 104-76(114)57-67(136-77(1 15)53-47-38-23-17-11-5)51 -45-40-36-33-30-26-20-14- 8-2)95(142-80(118)58-68(5 2-46-41-37-34-31-27-21-15 -9-3)137-78(116)54-48-42- 28-22-16-10-4)93(147-149( 128,129)130)74(140-97)64- 135-102(101(126)127)59-72 (83(119)92(146-102)71(112 )62-107)138-100-89(125)96 (88(124)91(144-100)70(111 )61-106)145-99-87(123)85( 121)86(122)90(143-99)69(1 10)60-105/h65-74,81-100,1 05-112,119-125H,7-64H2,1- 6H3,(H,103,113)(H,104,114 )(H,126,127)(H2,128,129,1 30)(H2,131,132,133)/t65-, 66-,67-,68-,69+,70+,71-,7 2-,73-,74-,81+,82-,83-,84 -,85+,86+,87+,88-,89+,90- ,91-,92-,93-,94+,95-,96+, 97-,98-,99-,100-,102-/m1/ s1; VKAAKLVZEGKXRM-AYTPQRGYSA-N |
CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH ](CO[CH]2O[CH](CO[C]3(C[CH](O[CH]4O[CH]( [CH](O)CO)[CH](O)[CH](O[CH]5O[CH]([CH](O )CO)[CH](O)[CH](O)[CH]5O)[CH]4O)[CH](O)[ CH](O3)[CH](O)CO)C(O)=O)[CH](O[P](O)(O)= O)[CH](OC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCC CCCCC)[CH]2NC(=O)C[CH](CCCCCCCCCCC)OC(=O )CCCCCCC)O[CH](O[P](O)(O)=O)[CH]1NC(=O)C [CH](O)CCCCCC; CCCCCCCCCCC[C@H](CC(=O)O[ C@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)CO[C@H ]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3( C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@ H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO) O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5) [C@H](CO)O)O)O)O)O)C(=O)O)OP(=O)(O)O)OC( =O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCC)NC (=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC)OP (=O)(O)O)NC(=O)C[C@@H](CCCCCC)O)O; CCCCC CCCCCC[C@@H](O)CC(=O)O[C@@H]1[C@H](O)[C@ @H](CO[C@@H]2O[C@H](CO[C@@]3(C[C@@H](O[C @@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O [C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H]( O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O3)[C @H](O)CO)C(O)=O)[C@@H](O[P](O)(O)=O)[C@H ](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCC CC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O )CCCCCCC)O[C@H](O[P](O)(O)=O)[C@H]1NC(=O )C[C@H](O)CCCCCC; CCCCCCCCCCCC(CC(=O)OC1 C(C(OC(C1O)COC2C(C(C(C(O2)COC3(CC(C(C(O3 )C(CO)O)O)OC4C(C(C(C(O4)C(CO)O)O)OC5C(C( C(C(O5)C(CO)O)O)O)O)O)C(=O)O)OP(=O)(O)O) OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC)NC(= O)CC(CCCCCCCCCCC)OC(=O)CCCCCCC)OP(=O)(O) O)NC(=O)CC(CCCCCC)O)O |
(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid |
| 19565 | EIX | 0 | C10 H17 F N3 O7 P S | InChI=1S/C10H17FN3O7PS/c1 -10(11)7(12)13-9(16)14(8( 10)23)6-2-4(15)5(21-6)3-2 0-22(17,18)19/h4-6,8,15,2 3H,2-3H2,1H3,(H2,12,13,16 )(H2,17,18,19)/t4-,5+,6-, 8+,10+/m0/s1; WAORVXYEMGHEBO-ULKLUNNDSA-N |
C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P] (O)(O)=O)O2)C(=O)N=C1N; CC1(C(N(C(=O)N=C 1N)C2CC(C(O2)COP(=O)(O)O)O)S)F; C[C@@]1( [C@H](N(C(=O)N=C1N)[C@@H]2C[C@@H]([C@H]( O2)COP(=O)(O)O)O)S)F; C[C@]1(F)[C@@H](S) N([C@@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O 2)C(=O)N=C1N |
[(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 19566 | EIZ | 1 | C18 H22 N2 O4 S | InChI=1S/C18H22N2O4S/c1-1 8(2,3)24-17(23)20-16-13(1 5(22)19-9-10-21)11-14(25- 16)12-7-5-4-6-8-12/h4-8,1 1,21H,9-10H2,1-3H3,(H,19, 22)(H,20,23); IBSJNIANIOEIGQ-UHFFFAOYSA-N |
CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc 2; CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccccc2)C(= O)NCCO |
tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate; (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid |
| 19567 | EJ1 | 12 | C14 H22 N5 O7 P | InChI=1S/C14H22N5O7P/c1-8 -12(20)10(9(5-18-8)7-26-2 7(23,24)25)6-19-11(13(21) 22)3-2-4-17-14(15)16/h5-6 ,18,20H,2-4,7H2,1H3,(H,21 ,22)(H4,15,16,17)(H2,23,2 4,25)/b10-6-,19-11+; RHCMSTSZICWJMS-GXVFZPQQSA-N |
CC1=C(C(=CN=C(CCCNC(=N)N)C(=O)O)C(=CN1)C OP(=O)(O)O)O; [H]/N=C(\N)/NCCC\C(=N/C=C\ 1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O; CC1 =C(O)C(=CN=C(CCCNC(N)=N)C(O)=O)C(=CN1)CO [P](O)(O)=O; CC1=C(O)\C(=C/N=C(CCCNC(N)= N)C(O)=O)C(=CN1)CO[P](O)(O)=O; C=1(NC=C( C(\C=1O)=C\N=C(/CCCN/C(N)=N)C(=O)O)COP(O )(O)=O)C |
(2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid |
| 19568 | EJ2 | 8 | C3 H Fe N2 Ni O | InChI=1S/2CN.CO.Fe.Ni/c3* 1-2;;/q;;+1;;/p+1; JIXQCBCEPWXSQU-UHFFFAOYSA-O |
[H+]([Fe](C#N)(C#N)C#[O+])[Ni]; [Ni][H+] [Fe@@](C#N)(C#N)C#[O+]; [Ni][H+][Fe](C#N )(C#N)C#[O+] |
NI-FE REDUCED ACTIVE CENTER |
| 19569 | EJ3 CHEMBL4171749 |
1 | C23 H19 F N4 O5 | InChI=1S/C23H19FN4O5/c1-1 2(29)28-11-18(17-8-15(33- 3)4-5-20(17)28)22(30)26-1 9-7-13(23(31)32)6-16(21(1 9)24)14-9-25-27(2)10-14/h 4-11H,1-3H3,(H,26,30)(H,3 1,32); RCPJEOKKJODBRQ-UHFFFAOYSA-N |
COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c 4)C(O)=O)c2c1)C(C)=O; CC(=O)n1cc(c2c1ccc (c2)OC)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C)C(=O )O |
3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid |
| 19570 | EJ4 CHEMBL567175 ZINC000003802871 |
2 | C26 H26 N2 O3 | InChI=1S/C26H26N2O3/c29-1 9-8-7-15-11-20-26(30)12-1 7-16-3-1-2-4-18(16)27-22( 17)24-25(26,21(15)23(19)3 1-24)9-10-28(20)13-14-5-6 -14/h1-4,7-8,14,20,24,27, 29-30H,5-6,9-13H2/t20-,24 +,25+,26-/m1/s1; WIYUZYBFCWCCQJ-IFKAHUTRSA-N |
c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C @@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC 8; Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c2 4)c6[nH]c7ccccc7c6C[C@@]35O)CC8CC8; c1cc c2c(c1)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c 6c(c(cc7)O)O4)CC8CC8; Oc1ccc2C[CH]3N(CC[ C]45[CH](Oc1c24)c6[nH]c7ccccc7c6C[C]35O) CC8CC8; Oc4c3OC7c2c(c1ccccc1n2)CC6(O)C5N (CCC67c3c(cc4)C5)CC8CC8 |
(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol; Naltrindole |
| 19571 | EJ5 ZINC000005588655 |
1 | C14 H15 N3 O4 | InChI=1S/C14H15N3O4/c15-1 4-16-11(18)10(12(19)17-14 )3-1-2-8-4-6-9(7-5-8)13(2 0)21/h4-7H,1-3H2,(H,20,21 )(H4,15,16,17,18,19); GBBVOAWLGQEGEW-UHFFFAOYSA-N |
NC1=NC(=C(CCCc2ccc(cc2)C(O)=O)C(=O)N1)O; O=C1C(=C(O)N=C(N)N1)CCCc2ccc(C(=O)O)cc2 ; c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O |
4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid |
| 19572 | EJ6 | 2 | C22 H24 Cl F N4 O5 S | InChI=1S/C22H24ClFN4O5S/c 1-11-5-7-15(24)17(12(11)2 )13(3)18(21-25-26-22(29)3 3-21)27-34(30,31)16-8-6-1 4(23)19-20(16)32-10-9-28( 19)4/h5-8,13,18,27H,9-10H 2,1-4H3,(H,26,29)/t13-,18 +/m1/s1; OODUGOCGSLORQM-ACJLOTCBSA-N |
Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O 2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F; C[CH] ([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12) C3=NNC(=O)O3)c4c(F)ccc(C)c4C; C[C@@H]([C @H](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3 =NNC(=O)O3)c4c(F)ccc(C)c4C; Cc1ccc(c(c1C )C(C)C(C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3 OCCN4C)Cl)F |
5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide |
| 19573 | EJ7 CHEMBL3693258 ZINC000226050910 |
1 | C18 H18 F N5 O3 | InChI=1S/C18H18FN5O3/c1-1 8(11-6-14(11)27-17(20)24- 18)10-5-9(3-4-12(10)19)23 -16(25)13-7-22-15(26-2)8- 21-13/h3-5,7-8,11,14H,6H2 ,1-2H3,(H2,20,24)(H,23,25 )/t11-,14+,18+/m0/s1; LUOFRFUNXXGHFC-UCMVZMLTSA-N |
CC1(C2CC2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc (cn4)OC; COc1cnc(cn1)C(=O)Nc2ccc(F)c(c2) [C]3(C)N=C(N)O[CH]4C[CH]34; c1(cc(c(cc1) F)C3(C)C2CC2OC(=N3)N)NC(=O)c4cnc(cn4)OC; C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F )NC(=O)c4cnc(cn4)OC; COc1cnc(cn1)C(=O)Nc 2ccc(F)c(c2)[C@@]3(C)N=C(N)O[C@@H]4C[C@H ]34 |
N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
| 19574 | EJ8 | 1 | C18 H22 N2 O11 P2 S | InChI=1S/C18H22N2O11P2S/c 21-16-11(9-34-10-32(23,24 )25)7-20(17(22)19-16)15-6 -13-14(30-15)8-29-18(31-1 3,33(26,27)28)12-4-2-1-3- 5-12/h1-5,7,13-15H,6,8-10 H2,(H,19,21,22)(H2,23,24, 25)(H2,26,27,28)/t13-,14- ,15-,18-/m1/s1; KFRRWRABRKBEOD-ATNYBXOESA-N |
O[P](O)(=O)CSCC1=CN([CH]2C[CH]3O[C](OC[C H]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O; O[P](O)(=O)CSCC1=CN([C@H]2C[C@H]3O[C@](O C[C@H]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1 =O; c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[ C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P (=O)(O)O; c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4 C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O |
[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid |
| 19575 | EJ9 | 1 | C32 H39 N O6 S | InChI=1S/C32H39NO6S/c1-18 -11-12-23(16-19(18)2)27-2 0(3)26(24-13-14-25-22(17- 24)10-9-15-38-25)28(21(4) 29(27)33-40(8,36)37)30(31 (34)35)39-32(5,6)7/h11-14 ,16-17,30,33H,9-10,15H2,1 -8H3,(H,34,35)/t30-/m0/s1; LTSGKVBEKJSHBH-PMERELPUSA-N |
Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C @@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C ; Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C) C(C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C; C c1ccc(cc1C)c2c(C)c(c3ccc4OCCCc4c3)c([C@H ](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O; Cc1ccc(cc1C)c2c(C)c(c3ccc4OCCCc4c3)c([CH ](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O |
(2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 19576 | EJA | 0 | C6 H10 N2 O5 S | InChI=1S/C6H10N2O5S/c7-3( 6(11)12)2-14-4(8-13)1-5(9 )10/h3,13H,1-2,7H2,(H,9,1 0)(H,11,12)/b8-4-/t3-/m0/ s1; JQASJBGYGONXEA-TVLFVMPKSA-N |
C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O; N[C H](CSC(CC(O)=O)=NO)C(O)=O; N[C@@H](CS\C( CC(O)=O)=N/O)C(O)=O; NC(CS\C(=N/O)CC(O)= O)C(O)=O; C(C(C(=O)O)N)SC(=NO)CC(=O)O |
S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
| 19577 | EJB | 1 | C23 H32 N6 O3 S | InChI=1S/C23H32N6O3S/c1-2 -17-15(6-5-9-26-17)12-25- 8-3-4-11-33-13-18-19(30)2 0(31)23(32-18)29-10-7-16- 21(24)27-14-28-22(16)29/h 5-7,9-10,14,18-20,23,25,3 0-31H,2-4,8,11-13H2,1H3,( H2,24,27,28)/t18-,19-,20- ,23-/m1/s1; SBQBBUZLJIAJBR-GLHSZLCASA-N |
CCc1c(cccn1)CNCCCCSCC2C(C(C(O2)n3ccc4c3n cnc4N)O)O; CCc1c(cccn1)CNCCCCSC[C@@H]2[C @H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O; CCc1ncccc1CNCCCCSCC1OC(n2ccc3c(N)ncnc32) C(O)C1O; CCc1ncccc1CNCCCCSC[CH]2O[CH]([C H](O)[CH]2O)n3ccc4c(N)ncnc34; CCc1ncccc1 CNCCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3 ccc4c(N)ncnc34 |
7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 19578 | EJC CHEMBL4593528 ZINC000034449260 |
1 | C11 H13 N O | InChI=1S/C11H13NO/c1-2-7- 13-10-3-4-11-9(8-10)5-6-1 2-11/h3-6,8,12H,2,7H2,1H3; ZDJYYIGOESXISA-UHFFFAOYSA-N |
CCCOc1ccc2c(c1)cc[nH]2; CCCOc1ccc2[nH]cc c2c1 |
5-propoxy-1H-indole |
| 19579 | EJD CHEMBL3593494 ZINC000000162003 |
2 | C11 H8 O2 S | InChI=1S/C11H8O2S/c12-11( 13)9-3-1-8(2-4-9)10-5-6-1 4-7-10/h1-7H,(H,12,13); FISAUHGRILVMDP-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)c2cscc2; c1cc(ccc1c2ccsc 2)C(=O)O; c1(ccsc1)c2ccc(C(O)=O)cc2 |
4-(thiophen-3-yl)benzoic acid |
| 19580 | EJE CHEMBL4778517 |
1 | C22 H21 F N4 | InChI=1S/C22H21FN4/c1-13- 8-15(11-24)9-14(2)20(13)2 1-22(27(3)12-26-21)18-6-7 -25-19-10-16(23)4-5-17(18 )19/h4-10,12H,11,24H2,1-3 H3; WOAOENGFAAUUGT-UHFFFAOYSA-N |
Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)c c4C; Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc (c4)F)C)CN |
[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine |
| 19581 | EJF CHEMBL5203726 |
1 | C27 H37 N5 O5 | InChI=1S/C27H37N5O5/c1-15 (2)11-21(25(35)29-19(14-3 3)12-18-9-10-28-24(18)34) 31-27(37)23(16(3)4)32-26( 36)22-13-17-7-5-6-8-20(17 )30-22/h5-8,13-16,18-19,2 1,23,30H,9-12H2,1-4H3,(H, 28,34)(H,29,35)(H,31,37)( H,32,36)/t18-,19-,21-,23- /m0/s1; BRIFXLOFHLLUBS-YDWJEQILSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc 3[nH]2; CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c 1[nH]c2ccccc2c1)C(C)C)C(=O)N[C@@H](C[C@@ H]3CCNC3=O)C=O; CC(C)C[CH](NC(=O)[CH](NC (=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[ CH]3CCNC3=O)C=O; CC(C)CC(C(=O)NC(CC1CCNC 1=O)C=O)NC(=O)C(C(C)C)NC(=O)c2cc3ccccc3[ nH]2 |
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide |
| 19582 | EJG | 2 | C24 H26 N2 O3 S | InChI=1S/C24H26N2O3S/c1-2 4(2,3)29-23(28)26-22-19(1 6-20(30-22)18-12-8-5-9-13 -18)21(27)25-15-14-17-10- 6-4-7-11-17/h4-13,16H,14- 15H2,1-3H3,(H,25,27)(H,26 ,28); RNVBPELOZDZKOV-UHFFFAOYSA-N |
CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCc2ccccc2) c3ccccc3; CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccc cc2)C(=O)NCCc3ccccc3 |
tert-butyl N-[5-phenyl-3-(2-phenylethylcarbamoyl)thiophen-2-yl]carbamate; (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid |
| 19583 | EJH | 1 | C11 H18 Cl N2 O13 P3 | InChI=1S/C11H18ClN2O13P3/ c1-5-3-14(11(17)13-9(5)16 )8-2-6(15)7(26-8)4-25-30( 23,24)27-29(21,22)10(12)2 8(18,19)20/h3,6-8,10,15H, 2,4H2,1H3,(H,21,22)(H,23, 24)(H,13,16,17)(H2,18,19, 20)/t6-,7+,8+,10-/m0/s1; AEQPCMIHLIQHEG-WHQQTDPMSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP (=O)(C(P(=O)(O)O)Cl)O)O; CC1=CN([C@H]2C[ C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C@ @H](Cl)[P](O)(O)=O)O2)C(=O)NC1=O; CC1=CN (C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(= O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O; CC1= CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O) (=O)[CH](Cl)[P](O)(O)=O)O2)C(=O)NC1=O |
[(~{S})-chloranyl-[[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid |
| 19584 | EJI | 1 | C23 H23 F N2 O4 | InChI=1S/C23H23FN2O4/c1-3 0-23(29)17-4-2-16(3-5-17) 21-20(15-6-8-18(24)9-7-15 )22(28)26(21)19-10-12-25( 14-27)13-11-19/h2-9,14,19 -21H,10-13H2,1H3/t20-,21+ /m1/s1; WIVVLBDUDQXNLC-RTWAWAEBSA-N |
COC(=O)c1ccc(cc1)[C@@H]2[C@H](C(=O)N2C3C CN(CC3)C=O)c4ccc(F)cc4; COC(=O)c1ccc(cc1 )[C@@H]2[C@H](C(=O)N2C3CCN(CC3)C=O)c4ccc (cc4)F; COC(=O)c1ccc(cc1)[CH]2[CH](C(=O) N2C3CCN(CC3)C=O)c4ccc(F)cc4; COC(=O)c1cc c(cc1)C2C(C(=O)N2C3CCN(CC3)C=O)c4ccc(cc4 )F |
methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate |
| 19585 | EJJ | 0 | C3 H6 N2 O3 | InChI=1S/C3H6N2O3/c4-3(8) 5-1-2(6)7/h1H2,(H,6,7)(H3 ,4,5,8); KZVRXPPUJQRGFN-UHFFFAOYSA-N |
C(C(=O)O)NC(=O)N; NC(=O)NCC(O)=O | N-CARBAMOYL-GLYCINE; 2-(aminocarbonylamino)ethanoic acid |
| 19586 | EJK CHEMBL4436183 |
2 | C19 H14 Cl F4 N O6 | InChI=1S/C19H14ClF4NO6/c2 0-8-3-6(11-14(23)12(21)7( 4-25)13(22)15(11)24)1-2-9 (8)30-19-18(29)17(28)16(2 7)10(5-26)31-19/h1-3,10,1 6-19,26-29H,5H2/t10-,16-, 17+,18+,19+/m1/s1; TVTALLJBZDAPSI-LCWWKBHCSA-N |
c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C @@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O) O; c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl) OC3C(C(C(C(O3)CO)O)O)O; OC[C@H]1O[C@H](O c2ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[C@@ H](O)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](Oc2 ccc(cc2Cl)c3c(F)c(F)c(C#N)c(F)c3F)[CH](O )[CH](O)[CH]1O |
4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile |
| 19587 | EJL | 3 | C24 H32 O3 | InChI=1S/C24H32O3/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-20-23(25)21 -19-22-24(26)27/h3-4,6-7, 9-10,12-13,15-16H,2,5,8,1 1,14,17,19,21-22H2,1H3,(H ,26,27)/b4-3-,7-6-,10-9-, 13-12-,16-15-; LHUWCJHCWHNRNX-JLNKQSITSA-N |
CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O; CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O )CCCC(=O)O; CC\C=C/C/C=C\C\C=C/C/C=C\C\C =C/CC#CC(=O)CCCC(O)=O; CCC=CCC=CCC=CCC=C CC=CCC#CC(=O)CCCC(=O)O |
(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid |
| 19588 | EJM DB03241 |
0 | C6 H13 N O | InChI=1S/C6H13NO/c1-2-3-4 -6(7)5-8/h5-6H,2-4,7H2,1H 3/t6-/m0/s1; TZJGKUCHNFFHGN-LURJTMIESA-N |
CCCCC(C=O)N; CCCC[C@@H](C=O)N; CCCC[CH]( N)C=O; CCCC[C@H](N)C=O |
L-norleucine aldehyde; (2S)-2-azanylhexanal; nleu-al |
| 19589 | EJN | 10 | C18 H15 F5 O6 | InChI=1S/C18H15F5O6/c19-1 0-9(11(20)13(22)14(23)12( 10)21)6-1-3-7(4-2-6)28-18 -17(27)16(26)15(25)8(5-24 )29-18/h1-4,8,15-18,24-27 H,5H2/t8-,15-,16+,17+,18+ /m1/s1; WCSHODXKNWBNJL-VYMSMKAZSA-N |
c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)OC3C(C(C( C(O3)CO)O)O)O; OC[C@H]1O[C@H](Oc2ccc(cc2 )c3c(F)c(F)c(F)c(F)c3F)[C@@H](O)[C@@H](O )[C@@H]1O; c1cc(ccc1c2c(c(c(c(c2F)F)F)F) F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO )O)O)O; OC[CH]1O[CH](Oc2ccc(cc2)c3c(F)c( F)c(F)c(F)c3F)[CH](O)[CH](O)[CH]1O |
(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol |
| 19590 | EJO CHEMBL1430816 ZINC000000058059 |
1 | C13 H15 N O2 | InChI=1S/C13H15NO2/c1-3-1 4(4-2)11-7-5-10-6-8-13(15 )16-12(10)9-11/h5-9H,3-4H 2,1-2H3; QXAMGWKESXGGNV-UHFFFAOYSA-N |
CCN(CC)c1ccc2C=CC(=O)Oc2c1; CCN(CC)c1ccc 2c(c1)OC(=O)C=C2 |
7-(diethylamino)chromen-2-one |
| 19591 | EJP CHEMBL4100398 |
4 | C24 H20 Cl N5 O3 | InChI=1S/C24H20ClN5O3/c1- 28-18-8-7-16(12-26)11-20( 18)33-14-19(23(28)31)29-1 0-9-17-21(24(29)32)27-30( 22(17)25)13-15-5-3-2-4-6- 15/h2-8,11,19H,9-10,13-14 H2,1H3/t19-/m0/s1; JWKONLKXWPCOJF-IBGZPJMESA-N |
CN1C(=O)[CH](COc2cc(ccc12)C#N)N3CCc4c(Cl )n(Cc5ccccc5)nc4C3=O; N#Cc2ccc1N(C(C(COc 1c2)N3C(c5c(CC3)c(n(Cc4ccccc4)n5)Cl)=O)= O)C; CN1c2ccc(cc2OCC(C1=O)N3CCc4c(nn(c4C l)Cc5ccccc5)C3=O)C#N; CN1c2ccc(cc2OC[C@@ H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C #N; CN1C(=O)[C@H](COc2cc(ccc12)C#N)N3CCc 4c(Cl)n(Cc5ccccc5)nc4C3=O |
(3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile |
| 19592 | EJQ CHEMBL1406979 ZINC000000527883 |
7 | C12 H15 F N2 O | InChI=1S/C12H15FN2O/c13-1 0-3-5-11(6-4-10)14-12(16) 9-15-7-1-2-8-15/h3-6H,1-2 ,7-9H2,(H,14,16); XUHKVJOCQINJLO-UHFFFAOYSA-N |
c1cc(ccc1NC(=O)CN2CCCC2)F; Fc1ccc(NC(=O) CN2CCCC2)cc1 |
~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide |
| 19593 | EJR CHEMBL4755618 |
2 | C20 H17 F N6 O | InChI=1S/C20H17FN6O/c1-12 -13(3-2-7-22-12)16-10-24- 20(27-11-25-26-19(16)27)2 3-9-15-14-6-8-28-18(14)5- 4-17(15)21/h2-5,7,10-11H, 6,8-9H2,1H3,(H,23,24); XLIBABIFOBYHSV-UHFFFAOYSA-N |
Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CC O5)F; Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34) n5cnnc25 |
N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| 19594 | EJS | 1 | C25 H25 F N8 O5 | InChI=1S/C25H25FN8O5/c1-1 2-21(24(36)30-15-4-6-18-1 4(7-15)9-28-33-18)22(32-2 5(37)29-12)13-3-5-17(26)1 6(8-13)23(35)27-10-20-31- 19(11-38-2)34-39-20/h3-9, 12,21-22H,10-11H2,1-2H3,( H,27,35)(H,28,33)(H,30,36 )(H2,29,32,37)/t12-,21+,2 2-/m0/s1; XBLIMSJQQFDWSD-QDWRYXNXSA-N |
COCc1noc(CNC(=O)c2cc(ccc2F)[C@@H]3NC(=O) N[C@@H](C)[C@H]3C(=O)Nc4ccc5n[nH]cc5c4)n 1; O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)CO C)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5; COCc1no c(CNC(=O)c2cc(ccc2F)[CH]3NC(=O)N[CH](C)[ CH]3C(=O)Nc4ccc5n[nH]cc5c4)n1; CC1C(C(NC (=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F) C(=O)Nc4ccc5c(c4)c[nH]n5; C[C@H]1[C@H]([ C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no 3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5 |
(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide |
| 19595 | EJT DB03634 ZINC000058649998 |
2 | C27 H41 N5 O14 | InChI=1S/C27H41N5O14/c28- 32-31-10-13-7-14(24(41)29 -3-1-5-43-26-22(39)20(37) 18(35)16(11-33)45-26)9-15 (8-13)25(42)30-4-2-6-44-2 7-23(40)21(38)19(36)17(12 -34)46-27/h7-9,16-23,26-2 7,33-40H,1-6,10-12H2,(H,2 9,41)(H,30,42)/t16-,17-,1 8-,19-,20+,21+,22+,23+,26 +,27+/m1/s1; GKRIMQPDERYOML-LHMXEDMUSA-N |
c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([ C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H] 3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN =[N+]=[N-]; OC[CH]1O[CH](OCCCNC(=O)c2cc( CN=[N+]=[N-])cc(c2)C(=O)NCCCO[CH]3O[CH]( CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[C H]1O; OC[C@H]1O[C@H](OCCCNC(=O)c2cc(CN=[ N+]=[N-])cc(c2)C(=O)NCCCO[C@H]3O[C@H](CO )[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@@ H](O)[C@@H]1O; O=C(NCCCOC1OC(CO)C(O)C(O) C1O)c2cc(cc(c2)C/N=[N+]=[N-])C(=O)NCCCOC 3OC(C(O)C(O)C3O)CO; c1c(cc(cc1C(=O)NCCCO C2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCOC3C(C(C( C(O3)CO)O)O)O)CN=[N+]=[N-] |
1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE |
| 19596 | EJU | 2 | C23 H25 N5 O | InChI=1S/C23H25N5O/c1-27( 2)15-17-8-10-18(11-9-17)2 0-12-13-22(28-16-25-26-23 (20)28)24-14-19-6-4-5-7-2 1(19)29-3/h4-13,16,24H,14 -15H2,1-3H3; QKLHJAGJPBYRBR-UHFFFAOYSA-N |
CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc 4OC; COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3) c4nncn24 |
8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine |
| 19597 | EJV CHEMBL1161942 ZINC000002166918 |
1 | C14 H20 O2 | InChI=1S/C14H20O2/c1-2-3- 4-5-6-7-12-8-10-13(11-9-1 2)14(15)16/h8-11H,2-7H2,1 H3,(H,15,16); VSUKEWPHURLYTK-UHFFFAOYSA-N |
CCCCCCCc1ccc(cc1)C(=O)O; c1cc(ccc1C(O)=O )CCCCCCC; CCCCCCCc1ccc(cc1)C(O)=O |
4-heptylbenzoic acid |
| 19598 | EJW | 3 | C10 H11 N2 O | InChI=1S/C10H10N2O/c11-7- 9-6-10(12-13-9)8-4-2-1-3- 5-8/h1-6H,7,11H2/p+1; AQZLTCXQTOKUAA-UHFFFAOYSA-O |
c1ccc(cc1)c2cc(on2)C[NH3+]; [NH3+]Cc1onc (c1)c2ccccc2 |
(3-phenyl-1,2-oxazol-5-yl)methylazanium |
| 19599 | EJY CHEMBL4077039 ZINC000005425467 |
2 | C14 H11 N3 O2 | InChI=1S/C14H11N3O2/c18-1 7(19)11-6-7-12-13(9-11)16 -14(15-12)8-10-4-2-1-3-5- 10/h1-7,9H,8H2,(H,15,16); UMWIVOZCYNITGG-UHFFFAOYSA-N |
c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O- ]; c1(cc2c(cc1)nc(n2)Cc3ccccc3)[N+](=O)[ O-]; [O-][N+](=O)c1ccc2[nH]c(Cc3ccccc3)n c2c1 |
2-benzyl-5-nitro-1H-benzimidazole |
| 19600 | EJZ CHEMBL1614935 ZINC000004261830 |
2 | C5 H3 N3 O6 | InChI=1S/C5H3N3O6/c9-3-2( 8(13)14)1(4(10)11)6-5(12) 7-3/h(H,10,11)(H2,6,7,9,1 2); OPGJGRWULGFTOS-UHFFFAOYSA-N |
C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]; O =C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O; OC (=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O |
5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid; 5 Nitroorotic Acid |