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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 33201 | MB0 DB07242 |
0 | C18 H18 Cl2 N4 O | InChI=1/C18H18Cl2N4O/c1-2 3-7-5-18(6-8-23)11(9-21)1 3-10-3-4-12(19)14(20)15(1 0)24(2)16(13)17(25)22-18/ h3-4,11H,5-8H2,1-2H3,(H,2 2,25)/t11-/m1/s1/f/h22H; XGUIMGJMQKZRGM-DTZVMOFHDY |
CN1CCC2(CC1)NC(=O)c3n(C)c4c(Cl)c(Cl)ccc4 c3[CH]2C#N; Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O) NC4(C3C#N)CCN(CC4)C; Cn1c2c(ccc(c2Cl)Cl) c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C; N#CC4 c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)C C3; CN1CCC2(CC1)NC(=O)c3n(C)c4c(Cl)c(Cl) ccc4c3[C@H]2C#N |
(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
| 33202 | MB1 CHEMBL484510 ZINC000003885125 |
1 | C6 H5 Cl N2 O4 S | InChI=1S/C6H5ClN2O4S/c7-5 -2-1-4(9(10)11)3-6(5)14(8 ,12)13/h1-3H,(H2,8,12,13); ZAJALNCZCSSGJC-UHFFFAOYSA-N |
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl; O= S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N; N[S](= O)(=O)c1cc(ccc1Cl)[N+]([O-])=O |
2-chloro-5-nitrobenzenesulfonamide |
| 33203 | MB2 CHEMBL3354129 ZINC000098209165 |
1 | C12 H11 F N4 O5 S2 | InChI=1S/C12H11FN4O5S2/c1 3-8-1-4-10(5-2-8)24(21,22 )17-12(18)16-9-3-6-11(15- 7-9)23(14,19)20/h1-7H,(H2 ,14,19,20)(H2,16,17,18); IQSPZQMMEJIGTG-UHFFFAOYSA-N |
O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(F)cc 1)cc2)N; N[S](=O)(=O)c1ccc(NC(=O)N[S](=O )(=O)c2ccc(F)cc2)cn1; c1cc(ccc1F)S(=O)(= O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N |
5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide |
| 33204 | MB3 CHEMBL12543 DB12521 ZINC000003860621 |
15 | C5 H9 N O | InChI=1S/C5H9NO/c1-6-4-2- 3-5(6)7/h2-4H2,1H3; SECXISVLQFMRJM-UHFFFAOYSA-N |
CN1CCCC1=O; O=C1N(C)CCC1 | 1-methylpyrrolidin-2-one |
| 33205 | MB4 CHEMBL3354127 ZINC000098209166 |
1 | C13 H14 N4 O5 S2 | InChI=1S/C13H14N4O5S2/c1- 9-4-2-3-5-11(9)24(21,22)1 7-13(18)16-10-6-7-12(15-8 -10)23(14,19)20/h2-8H,1H3 ,(H2,14,19,20)(H2,16,17,1 8); FSPCZTCUVKLQSU-UHFFFAOYSA-N |
Cc1ccccc1[S](=O)(=O)NC(=O)Nc2ccc(nc2)[S] (N)(=O)=O; O=S(=O)(c2ncc(NC(=O)NS(=O)(=O )c1ccccc1C)cc2)N; Cc1ccccc1S(=O)(=O)NC(= O)Nc2ccc(nc2)S(=O)(=O)N |
5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide |
| 33206 | MB5 CHEMBL461147 ZINC000040860697 |
7 | C21 H24 Cl N3 O | InChI=1S/C21H24ClN3O/c1-1 9(2)16-10-21-6-3-7-25(21) 11-20(16,24-18(21)26)9-14 -13-5-4-12(22)8-15(13)23- 17(14)19/h4-5,8,16,23H,3, 6-7,9-11H2,1-2H3,(H,24,26 )/t16-,20+,21-/m0/s1; DXPVAKSJZFQGSS-DQLDELGASA-N |
CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6ccc(Cl) cc6[nH]c15)NC4=O; CC1(c2c(c3ccc(cc3[nH]2 )Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5 )C; CC1(c2c(c3ccc(cc3[nH]2)Cl)CC45C1CC6( CCCN6C4)C(=O)N5)C; CC1(C)[C@@H]2C[C@]34C CCN3C[C@@]2(Cc5c6ccc(Cl)cc6[nH]c15)NC4=O ; N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cc(c c4)Cl)n5)(C)C)C6 |
(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one; malbrancheamide B |
| 33207 | MB6 CHEMBL3354128 ZINC000098209167 |
1 | C12 H11 Cl N4 O5 S2 | InChI=1S/C12H11ClN4O5S2/c 13-8-1-4-10(5-2-8)24(21,2 2)17-12(18)16-9-3-6-11(15 -7-9)23(14,19)20/h1-7H,(H 2,14,19,20)(H2,16,17,18); OBPYYKUIAZWAFC-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2cc c(Cl)cc2)cn1; c1cc(ccc1S(=O)(=O)NC(=O)Nc 2ccc(nc2)S(=O)(=O)N)Cl; O=S(=O)(c2ncc(NC (=O)NS(=O)(=O)c1ccc(Cl)cc1)cc2)N |
5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide |
| 33208 | MB7 CHEMBL3099282 ZINC000098209168 |
1 | C13 H14 N4 O5 S2 | InChI=1S/C13H14N4O5S2/c1- 9-2-5-11(6-3-9)24(21,22)1 7-13(18)16-10-4-7-12(15-8 -10)23(14,19)20/h2-8H,1H3 ,(H2,14,19,20)(H2,16,17,1 8); PBRJWJGMKVRIRK-UHFFFAOYSA-N |
O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(cc1) C)cc2)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2 ccc(nc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(= O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N |
5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide |
| 33209 | MB8 CHEMBL55941 ZINC000000897447 |
2 | C5 H8 O2 | InChI=1S/C5H8O2/c1-3-4(2) 5(6)7/h3H,1-2H3,(H,6,7)/b 4-3-; UIERETOOQGIECD-ARJAWSKDSA-N |
CC=C(C)C(O)=O; C\C=C(C)/C(O)=O; C/C=C(/C )\C(=O)O; CC=C(C)C(=O)O; O=C(O)\C(=C/C)C |
(2Z)-2-methylbut-2-enoic acid |
| 33210 | MB9 DB08166 ZINC000024980601 |
1 | C17 H17 Cl N4 O | InChI=1S/C17H17ClN4O/c1-2 2-13-8-10(18)2-3-11(13)14 -12(9-19)17(4-6-20-7-5-17 )21-16(23)15(14)22/h2-3,8 ,12,20H,4-7H2,1H3,(H,21,2 3)/t12-/m1/s1; LPFQFJAOMCGYCP-GFCCVEGCSA-N |
Cn1c2cc(Cl)ccc2c3[CH](C#N)C4(CCNCC4)NC(= O)c13; Cn1c2cc(Cl)ccc2c3[C@@H](C#N)C4(CC NCC4)NC(=O)c13; Cn1c2cc(ccc2c3c1C(=O)NC4 (C3C#N)CCNCC4)Cl; Cn1c2cc(ccc2c3c1C(=O)N C4([C@@H]3C#N)CCNCC4)Cl; Clc4ccc3c(n(c2C (=O)NC1(CCNCC1)C(C#N)c23)C)c4 |
(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
| 33211 | MBA | 0 | C5 H13 N | InChI=1/C5H13N/c1-3-5(2)4 -6/h5H,3-4,6H2,1-2H3/t5-/ m0/s1; VJROPLWGFCORRM-YFKPBYRVBF |
CCC(C)CN; CC[C@H](C)CN; CC[CH](C)CN; NCC (C)CC |
2-METHYLBUTYLAMINE |
| 33212 | MBB ZINC000031976950 |
0 | C28 H31 N7 | InChI=1S/C28H31N7/c1-18-1 5-20(33(2)3)6-8-22(18)28- 30-23-9-5-19(16-25(23)32- 28)27-29-24-10-7-21(17-26 (24)31-27)35-13-11-34(4)1 2-14-35/h5-10,15-17H,11-1 4H2,1-4H3,(H,29,31)(H,30, 32); ADKLMOJIJGHCCD-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c (nc5c4)c6ccc(cc6C)N(C)C; n2c(c1ccc(N(C)C )cc1C)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C )CC6; Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH] c5ccc(cc5n4)N6CCN(CC6)C)N(C)C |
2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE |
| 33213 | MBC CHEMBL62071 |
0 | C19 H16 N6 O | InChI=1S/C19H16N6O/c20-17 (21)11-3-1-10(2-4-11)15-7 -8-16(26-15)19-24-13-6-5- 12(18(22)23)9-14(13)25-19 /h1-9H,(H3,20,21)(H3,22,2 3)(H,24,25); LXJNJISEUJIGFP-UHFFFAOYSA-N |
[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc( cc4n3)/C(=N\[H])/N)/N; NC(=N)c1ccc(cc1)c 2oc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N; n2c1c( ccc(C(=[N@H])N)c1)nc2c3oc(cc3)c4ccc(C(=[ N@H])N)cc4; [H]N=C(c1ccc(cc1)c2ccc(o2)c3 [nH]c4ccc(cc4n3)C(=N[H])N)N |
2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE; DB 293 |
| 33214 | MBD CHEMBL1173328 DB03454 ZINC000013512198 |
4 | C7 H8 O2 | InChI=1S/C7H8O2/c1-5-3-2- 4-6(8)7(5)9/h2-4,8-9H,1H3; PGSWEKYNAOWQDF-UHFFFAOYSA-N |
Cc1cccc(c1O)O; Cc1cccc(O)c1O; Oc1c(cccc1 O)C |
3-METHYLCATECHOL; 3-METHYL-BENZENE-1,2-DIOL |
| 33215 | MBE CHEMBL4462691 ZINC000005842327 |
4 | C12 H15 N O8 | InChI=1S/C12H15NO8/c14-5- 8-9(15)10(16)11(17)12(21- 8)20-7-3-1-6(2-4-7)13(18) 19/h1-4,8-12,14-17H,5H2/t 8-,9-,10+,11+,12-/m1/s1; IFBHRQDFSNCLOZ-LDMBFOFVSA-N |
c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H] ([C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1O[C@@ H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@@ H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-])OC2 C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc2ccc (cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O |
4-nitrophenyl beta-D-mannopyranoside; 4-Nitrophenyl-beta-D-mannopyranoside; 4-nitrophenyl beta-D-mannoside; 4-nitrophenyl D-mannoside; 4-nitrophenyl mannoside |
| 33216 | MBF CHEMBL1234222 DB04483 ZINC000004544633 |
1 | C6 H11 F O5 | InChI=1S/C6H11FO5/c7-3-5( 10)4(9)2(1-8)12-6(3)11/h2 -6,8-11H,1H2/t2-,3+,4-,5- ,6-/m1/s1; ZCXUVYAZINUVJD-AIECOIEWSA-N |
C(C1C(C(C(C(O1)O)F)O)O)O; C([C@@H]1[C@H] ([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O; OC[C H]1O[CH](O)[CH](F)[CH](O)[CH]1O; OC[C@H] 1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O; F C1C(O)C(O)C(OC1O)CO |
2-deoxy-2-fluoro-beta-D-mannopyranose; 2-DEOXY-2-FLUORO-BETA-D-MANNOSE; 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose |
| 33217 | MBG CHEMBL442951 DB04046 ZINC000004096161 |
30 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-7- 6(11)5(10)4(9)3(2-8)13-7/ h3-11H,2H2,1H3/t3-,4+,5+, 6-,7-/m1/s1; HOVAGTYPODGVJG-VOQCIKJUSA-N |
OC1C(O)C(O)C(OC1OC)CO; CO[C@H]1[C@@H]([C @H]([C@H]([C@H](O1)CO)O)O)O; CO[CH]1O[CH ](CO)[CH](O)[CH](O)[CH]1O; CO[C@@H]1O[C@ H](CO)[C@H](O)[C@H](O)[C@H]1O; COC1C(C(C (C(O1)CO)O)O)O |
methyl beta-D-galactopyranoside; METHYL-BETA-GALACTOSE; methyl beta-D-galactoside; methyl D-galactoside; methyl galactoside |
| 33218 | MBH ZINC000263620787 |
0 | C10 H15 N2 O2 | InChI=1S/C10H14N2O2/c1-12 (11,8-10(13)14)7-9-5-3-2- 4-6-9/h2-6H,7-8,11H2,1H3/ p+1/t12-/m1/s1; NDSXGEJMQJHFMW-GFCCVEGCSA-O |
C[N+](Cc1ccccc1)(CC(=O)O)N; C[N+](N)(CC( O)=O)Cc1ccccc1; C[N@+](N)(CC(O)=O)Cc1ccc cc1; O=C(O)C[N+](N)(Cc1ccccc1)C; C[N@@+] (Cc1ccccc1)(CC(=O)O)N |
(1R)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium |
| 33219 | MBI CHEMBL5411244 |
1 | C25 H23 Br Cl N3 O3 | InChI=1S/C25H23BrClN3O3/c 1-16-2-8-20(27)15-23(16)3 0-12-10-29(11-13-30)22-9- 5-18(25(32)33)14-21(22)28 -24(31)17-3-6-19(26)7-4-1 7/h2-9,14-15H,10-13H2,1H3 ,(H,28,31)(H,32,33); LCEHOBBNMWKUSG-UHFFFAOYSA-N |
Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4 ccc(Br)cc4)C(O)=O; Cc1ccc(cc1N2CCN(CC2)c 3ccc(cc3NC(=O)c4ccc(cc4)Br)C(=O)O)Cl |
3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid |
| 33220 | MBK CHEMBL5093719 |
4 | C22 H26 Br N5 O4 S | InChI=1S/C22H26BrN5O4S/c1 -27(33(31,32)18-7-3-2-4-8 -18)19-20(25-14-6-5-13-24 )28(22(30)26-21(19)29)15- 16-9-11-17(23)12-10-16/h2 -4,7-12,25H,5-6,13-15,24H 2,1H3,(H,26,29,30); IAVMPVZGAIJJDC-UHFFFAOYSA-N |
CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCC N)S(=O)(=O)c3ccccc3; CN(C1=C(NCCCCN)N(Cc 2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3cccc c3 |
~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
| 33221 | MBL CHEMBL4803538 ZINC000584905619 |
8 | C14 H19 N3 | InChI=1S/C14H19N3/c1-2-3- 7-10-17-11-13(16-14(17)15 )12-8-5-4-6-9-12/h4-6,8-9 ,11H,2-3,7,10H2,1H3,(H2,1 5,16); NTJHSIKKNQRLPN-UHFFFAOYSA-N |
CCCCCn1cc(nc1N)c2ccccc2 | 1-pentyl-4-phenyl-imidazol-2-amine |
| 33222 | MBM CHEMBL567904 ZINC000044460288 |
3 | C28 H32 N6 O4 | InChI=1S/C28H32N6O4/c1-19 -15-21-16-22(9-10-24(21)3 8-19)30-28(32-26(36)20-7- 6-11-29-17-20)31-23-8-2-3 -14-34(27(23)37)18-25(35) 33-12-4-5-13-33/h6-7,9-11 ,15-17,23H,2-5,8,12-14,18 H2,1H3,(H2,30,31,32,36)/t 23-/m0/s1; GNYXHJVKEWBHAI-QHCPKHFHSA-N |
Cc1oc2ccc(cc2c1)N=C(N[C@H]3CCCCN(CC(=O)N 4CCCC4)C3=O)NC(=O)c5cccnc5; O=C2N(CC(=O) N1CCCC1)CCCCC2N/C(=N\c4cc3c(oc(c3)C)cc4) NC(=O)c5cccnc5; Cc1cc2cc(ccc2o1)N=C(NC3C CCCN(C3=O)CC(=O)N4CCCC4)NC(=O)c5cccnc5; Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O) CC(=O)N4CCCC4)/NC(=O)c5cccnc5; Cc1oc2ccc (cc2c1)N=C(N[CH]3CCCCN(CC(=O)N4CCCC4)C3= O)NC(=O)c5cccnc5 |
N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide |
| 33223 | MBN CHEMBL9113 DB11558 ZINC000000967534 |
20 | C7 H8 | InChI=1S/C7H8/c1-7-5-3-2- 4-6-7/h2-6H,1H3; YXFVVABEGXRONW-UHFFFAOYSA-N |
Cc1ccccc1; c1ccccc1C | TOLUENE |
| 33224 | MBO DB03975 |
0 | C7 H5 Hg O2 | InChI=1S/C7H5O2.Hg/c8-7(9 )6-4-2-1-3-5-6;/h2-5H,(H, 8,9);; FVFZSVRSDNUCGG-UHFFFAOYSA-N |
[Hg]c1ccc(C(=O)O)cc1; OC(=O)c1ccc([Hg])c c1; c1cc(ccc1C(=O)O)[Hg] |
MERCURIBENZOIC ACID |
| 33225 | MBP CHEMBL272690 DB03663 ZINC000003814457 |
1 | C10 H13 N5 O2 | InChI=1S/C10H13N5O2/c1-5( 2)6(16)3-17-9-7-8(13-4-12 -7)14-10(11)15-9/h4-5H,3H 2,1-2H3,(H3,11,12,13,14,1 5); BEXUQVHWMLPYKY-UHFFFAOYSA-N |
O=C(C(C)C)COc1nc(nc2ncnc12)N; CC(C)C(=O) COc1nc(N)nc2nc[nH]c12; CC(C)C(=O)COc1c2c (nc[nH]2)nc(n1)N |
1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL |
| 33226 | MBQ DB02537 ZINC000103549492 |
0 | C20 H22 N2 O6 | InChI=1S/C20H22N2O6/c1-12 -2-4-15(5-3-12)28-11-14(6 -7-23)22-17-9-13(8-16(21) 20(26)27)18(24)10-19(17)2 5/h2-7,9-10,16,22,24-25H, 8,11,21H2,1H3,(H,26,27)/b 14-6+/t16-/m0/s1; FSNBWEOGSXUNGF-CQMBDMNQSA-N |
O=C(O)C(N)Cc2c(O)cc(O)c(N\C(=C\C=O)COc1c cc(cc1)C)c2; Cc1ccc(cc1)OC/C(=C\C=O)/Nc2 cc(c(cc2O)O)C[C@@H](C(=O)O)N; Cc1ccc(OCC (Nc2cc(C[CH](N)C(O)=O)c(O)cc2O)=CC=O)cc1 ; Cc1ccc(OCC(/Nc2cc(C[C@H](N)C(O)=O)c(O) cc2O)=C\C=O)cc1; Cc1ccc(cc1)OCC(=CC=O)Nc 2cc(c(cc2O)O)CC(C(=O)O)N |
2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE |
| 33227 | MBR CHEMBL345248 DB03054 ZINC000008101061 |
57 | C H Br3 | InChI=1S/CHBr3/c2-1(3)4/h 1H; DIKBFYAXUHHXCS-UHFFFAOYSA-N |
C(Br)(Br)Br; BrC(Br)Br | TRIBROMOMETHANE |
| 33228 | MBS DB04416 ZINC000003581255 |
1 | C20 H21 N O6 S | InChI=1S/C20H21NO6S/c1-26 -14-4-3-5-19(20(22)23)21- 28(24,25)18-12-8-16(9-13- 18)15-6-10-17(27-2)11-7-1 5/h6-13,19,21H,5,14H2,1-2 H3,(H,22,23)/t19-/m1/s1; QJKGJGURDPRKGW-LJQANCHMSA-N |
COCC#CC[C@@H](N[S](=O)(=O)c1ccc(cc1)c2cc c(OC)cc2)C(O)=O; COCC#CC[CH](N[S](=O)(=O )c1ccc(cc1)c2ccc(OC)cc2)C(O)=O; COCC#CC[ C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc 2)OC; COCC#CCC(C(=O)O)NS(=O)(=O)c1ccc(cc 1)c2ccc(cc2)OC; O=C(O)C(NS(=O)(=O)c2ccc( c1ccc(OC)cc1)cc2)CC#CCOC |
R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID |
| 33229 | MBT CHEMBL191083 DB08167 ZINC000012414057 |
9 | C16 H18 N3 S | InChI=1S/C16H18N3S/c1-18( 2)11-5-7-13-15(9-11)20-16 -10-12(19(3)4)6-8-14(16)1 7-13/h5-10H,1-4H3/q+1; RBTBFTRPCNLSDE-UHFFFAOYSA-N |
CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C; [ s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3; CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C |
3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM; METHYLENE BLUE |
| 33230 | MBU CHEMBL5190717 |
2 | C30 H31 F3 N6 O | InChI=1S/C30H31F3N6O/c1-4 -38-17-25(28(36-38)30(31, 32)33)23-14-20(16-37-12-1 0-34-19(37)3)15-24-22(23) 8-11-39(29(24)40)27(21-5- 6-21)26-13-18(2)7-9-35-26 /h7,9-10,12-15,17,21,27H, 4-6,8,11,16H2,1-3H3/t27-/ m0/s1; URNMGEJXPZLHRK-MHZLTWQESA-N |
CCn1cc(c2cc(Cn3ccnc3C)cc4C(=O)N(CCc24)[C H](C5CC5)c6cc(C)ccn6)c(n1)C(F)(F)F; CCn1 cc(c2cc(Cn3ccnc3C)cc4C(=O)N(CCc24)[C@@H] (C5CC5)c6cc(C)ccn6)c(n1)C(F)(F)F; FC(F)( F)c1nn(CC)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(CC c21)C(c1cc(C)ccn1)C1CC1; CCn1cc(c(n1)C(F )(F)F)c2cc(cc3c2CCN(C3=O)C(c4cc(ccn4)C)C 5CC5)Cn6ccnc6C; CCn1cc(c(n1)C(F)(F)F)c2c c(cc3c2CCN(C3=O)[C@H](c4cc(ccn4)C)C5CC5) Cn6ccnc6C |
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one |
| 33231 | MBV ZINC000103549499 |
1 | C33 H38 N4 O6 | InChI=1S/C33H38N4O6/c1-7- 20-18(5)32(42)36-26(20)14 -28-22(9-11-30(38)39)16(3 )24(34-28)13-25-17(4)23(1 0-12-31(40)41)29(35-25)15 -27-21(8-2)19(6)33(43)37- 27/h13-15,34H,7-12H2,1-6H 3,(H,36,42)(H,37,43)(H,38 ,39)(H,40,41)/b25-13-,26- 14-,27-15-; OJKQMHYPQBCGFM-BMHFDQIVSA-N |
CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C( =C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O )O)C)C)CCC(=O)O)C; CCC1=C(C(=O)NC1=Cc2c( c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N 4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C; CCC1=C(C )C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC( =O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C)c2CCC(O )=O; CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C( C=C4NC(=O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C) c2CCC(O)=O |
MESOBILIVERDIN IV ALPHA |
| 33232 | MBW CHEMBL4439259 DB16834 |
2 | C18 H20 N8 O2 | InChI=1S/C18H20N8O2/c1-11 -7-15-20-10-21-25(15)9-13 (11)22-17-19-8-14-16(23-1 7)26(18(27)24(14)2)12-3-5 -28-6-4-12/h7-10,12H,3-6H 2,1-2H3,(H,19,22,23); XISVSTPEXYIKJL-UHFFFAOYSA-N |
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5C COCC5; CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncn c5cc4C)ncc13 |
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one |
| 33233 | MBX ZINC000299865115 |
1 | C28 H34 N4 O3 S | InChI=1S/C28H34N4O3S/c1-6 -25(33)30-21-9-7-20(8-10- 21)11-12-36-27-23(14-29)2 2-13-28(4,5)34-17-24(22)2 6(31-27)32-15-18(2)35-19( 3)16-32/h6-10,18-19H,1,11 -13,15-17H2,2-5H3,(H,30,3 3)/t18-,19-/m0/s1; NFJHNJQFJCYWCB-OALUTQOASA-N |
C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc 4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C; C[CH ]1CN(C[CH](C)O1)c2nc(SCCc3ccc(NC(=O)C=C) cc3)c(C#N)c4CC(C)(C)OCc24; C[C@H]1CN(C[C @H](C)O1)c2nc(SCCc3ccc(NC(=O)C=C)cc3)c(C #N)c4CC(C)(C)OCc24; CC1CN(CC(O1)C)c2c3c( c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3 )(C)C |
~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide |
| 33234 | MBY CHEMBL1256031 ZINC000064539570 |
5 | C12 H15 N3 O4 S | InChI=1S/C12H15N3O4S/c16- 3-7-10(18)8(17)2-15(7)1-6 -4-20-11-9(6)13-5-14-12(1 1)19/h4-5,7-8,10,16-18H,1 -3H2,(H,13,14,19)/t7-,8+, 10-/m1/s1; UZJHCHSHAYEOTK-KHQFGBGNSA-N |
OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2csc3c(O )ncnc23; c1c(c2c(s1)c(ncn2)O)CN3CC(C(C3C O)O)O; OC[CH]1[CH](O)[CH](O)CN1Cc2csc3c( O)ncnc23; c1c(c2c(s1)c(ncn2)O)CN3C[C@@H] ([C@@H]([C@H]3CO)O)O; n1c(O)c2scc(c2nc1) CN3C(CO)C(O)C(O)C3 |
(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol |
| 33235 | MBZ ZINC000058650380 |
0 | C13 H17 N2 O6 P | InChI=1S/C13H17N2O6P/c1-8 -3-2-4-9-13(8)14-7-15(9)1 2-5-10(16)11(21-12)6-20-2 2(17,18)19/h2-4,7,10-12,1 6H,5-6H2,1H3,(H2,17,18,19 )/t10-,11+,12+/m0/s1; ZNNQATJVEJKFID-QJPTWQEYSA-N |
Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP (=O)(O)O)O; Cc1cccc2c1ncn2C3CC(C(O3)COP( =O)(O)O)O; Cc1cccc2n(cnc12)[CH]3C[CH](O) [CH](CO[P](O)(O)=O)O3; O=P(O)(O)OCC3OC(n 2cnc1c(cccc12)C)CC3O; Cc1cccc2n(cnc12)[C @H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BENZOIMIDAZOLE-5'-MONOPHOSPHATE |
| 33236 | MC CHEMBL295703 ZINC000029338282 |
1 | C14 H16 N4 O5 | InChI=1S/C14H16N4O5/c1-4- 8(16)13(21)7-5(3-23-14(17 )22)9-12(20)6(15)2-18(9)1 0(7)11(4)19/h6,12,20H,2-3 ,15-16H2,1H3,(H2,17,22)/t 6-,12-/m0/s1; XNHZZRIKMUCTHU-QTTZVWFDSA-N |
CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H] 3O)N)COC(=O)N)N; O=C1c2c(C(=O)C(N)=C1C)c (c3n2CC(N)C3O)COC(=O)N; CC1=C(C(=O)c2c(c 3n(c2C1=O)CC(C3O)N)COC(=O)N)N; CC1=C(N)C (=O)c2c(COC(N)=O)c3[CH](O)[CH](N)Cn3c2C1 =O; CC1=C(N)C(=O)c2c(COC(N)=O)c3[C@@H](O )[C@@H](N)Cn3c2C1=O |
1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE; CARBAMIC ACID 2,6-DIAMINO-1-HYDROXY-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER |
| 33237 | MC0 ZINC000008551219 |
1 | C25 H40 N7 O19 P3 S | InChI=1S/C25H40N7O19P3S/c 1-12(23(37)38)24(39)55-7- 6-27-14(33)4-5-28-21(36)1 8(35)25(2,3)9-48-54(45,46 )51-53(43,44)47-8-13-17(5 0-52(40,41)42)16(34)22(49 -13)32-11-31-15-19(26)29- 10-30-20(15)32/h10-13,16- 18,22,34-35H,4-9H2,1-3H3, (H,27,33)(H,28,36)(H,37,3 8)(H,43,44)(H,45,46)(H2,2 6,29,30)(H2,40,41,42)/t12 -,13+,16+,17+,18-,22+/m0/ s1; MZFOKIKEPGUZEN-IBNUZSNCSA-N |
C[CH](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH]( O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O [CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N) ncnc23; c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O) (=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)N CCSC(=O)C(C)C(O)=O)c2ncnc(c2n3)N; CC(C(= O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(= O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3 N)O)OP(=O)(O)O)O; C[C@@H](C(=O)O)C(=O)SC CNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n 2cnc3c2ncnc3N)O)OP(=O)(O)O)O; C[C@@H](C( O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)( C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]( [C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)nc nc23 |
(S)-Methylmalonyl-Coenzyme A; (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) |
| 33238 | MC1 DB02443 |
0 | C20 H25 N3 O9 S | InChI=1S/C20H27N3O9S/c1-2 0(2)14(18(27)28)23-16(33- 20)13(19(29)32-8-9(21)17( 25)26)22-15(24)12-10(30-3 )6-5-7-11(12)31-4/h5-7,9, 13-14,16,23H,8,21H2,1-4H3 ,(H,22,24)(H,25,26)(H,27, 28)/p-2/t9-,13-,14-,16+/m 0/s1; GFYFFUGNPVBDAK-ZHBCMPEGSA-L |
CC1(C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O )c2c(cccc2OC)OC)C(=O)[O-])C; CC1([C@@H]( N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-] )N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C; COc 1cccc(OC)c1C(=O)N[CH]([CH]2N[CH](C([O-]) =O)C(C)(C)S2)C(=O)OC[CH](N)C([O-])=O; CO c1cccc(OC)c1C(=O)N[C@@H]([C@@H]2N[C@@H]( C([O-])=O)C(C)(C)S2)C(=O)OC[C@H](N)C([O- ])=O; O=C(NC(C(=O)OCC(C([O-])=O)N)C1SC(C (N1)C([O-])=O)(C)C)c2c(OC)cccc2OC |
METHICILLIN ACYL-SERINE |
| 33239 | MC2 CHEMBL56252 ZINC000027738213 |
2 | C25 H30 N6 O2 | InChI=1S/C25H30N6O2/c26-2 1(15-17-7-2-1-3-8-17)23(3 2)31-22(11-6-14-29-25(27) 28)24(33)30-20-13-12-18-9 -4-5-10-19(18)16-20/h1-5, 7-10,12-13,16,21-22H,6,11 ,14-15,26H2,(H,30,33)(H,3 1,32)(H4,27,28,29)/t21-,2 2-/m0/s1; ZNHUFUZDUQRKBB-VXKWHMMOSA-N |
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)= N)C(=O)Nc2ccc3ccccc3c2; N[CH](Cc1ccccc1) C(=O)N[CH](CCCNC(N)=N)C(=O)Nc2ccc3ccccc3 c2; [H]N=C(N)NCCCC(C(=O)Nc1ccc2ccccc2c1) NC(=O)C(Cc3ccccc3)N; [H]/N=C(\N)/NCCC[C@ @H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3 ccccc3)N; O=C(NC(C(=O)Nc2ccc1c(cccc1)c2) CCCNC(=[N@H])N)C(N)Cc3ccccc3 |
N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE |
| 33240 | MC3 CHEMBL451503 |
0 | C36 H72 N O8 P | InChI=1S/C36H72NO8P/c1-6- 8-10-12-14-16-18-20-22-24 -26-28-35(38)42-32-34(33- 44-46(40,41)43-31-30-37(3 ,4)5)45-36(39)29-27-25-23 -21-19-17-15-13-11-9-7-2/ h34H,6-33H2,1-5H3/t34-/m1 /s1; CITHEXJVPOWHKC-UUWRZZSWSA-N |
O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(= O)CCCCCCCCCCCCC)CCCCCCCCCCCCC; CCCCCCCCC CCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C )(C)C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCC C(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C )C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(= O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O) CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H] (CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)C CCCCCCCCCCCC |
1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE |
| 33241 | MC4 | 4 | C26 H41 N7 O18 P3 S | InChI=1S/C26H42N7O18P3S/c 1-13(14(2)34)25(39)55-8-7 -28-16(35)5-6-29-23(38)20 (37)26(3,4)10-48-54(45,46 )51-53(43,44)47-9-15-19(5 0-52(40,41)42)18(36)24(49 -15)33-12-32-17-21(27)30- 11-31-22(17)33/h11-12,15, 18-20,24,36-37,39H,5-10H2 ,1-4H3,(H,28,35)(H,29,38) (H,43,44)(H,45,46)(H2,27, 30,31)(H2,40,41,42)/p-1/b 25-13-/t15-,18-,19-,20+,2 4-/m1/s1; HJBMSIYWKRMJGR-LURNCBTNSA-M |
CC(=C([O-])SCCNC(=O)CCNC(=O)C(C(C)(C)COP (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn c3N)O)OP(=O)(O)O)O)C(=O)C; C/C(=C(\[O-]) /SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@]( =O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([ C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/ C(=O)C; CC(=O)/C(C)=C(/[O-])SCCNC(=O)CCN C(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)( =O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O) (O)=O)n2cnc3c(N)ncnc23; CC(=O)C(C)=C([O- ])SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O )(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH] 1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
2-METHYLACETOACETYL COA |
| 33242 | MC5 ZINC000003633833 |
1 | C21 H16 F N O3 S | InChI=1S/C21H16FNO3S/c22- 18-4-2-1-3-16(18)12-26-17 -8-7-14-9-13(5-6-15(14)11 -17)10-19-20(24)23-21(25) 27-19/h1-9,11,19H,10,12H2 ,(H,23,24,25)/t19-/m0/s1; PKWDZWYVIHVNKS-IBGZPJMESA-N |
Fc1ccccc1COc2ccc3cc(C[CH]4SC(=O)NC4=O)cc c3c2; c1ccc(c(c1)COc2ccc3cc(ccc3c2)CC4C( =O)NC(=O)S4)F; Fc1ccccc1COc2ccc3cc(C[C@@ H]4SC(=O)NC4=O)ccc3c2; Fc1ccccc1COc3ccc2 cc(ccc2c3)CC4SC(=O)NC4=O; c1ccc(c(c1)COc 2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F |
(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione; Netoglitazone |
| 33243 | MC8 ZINC000263620626 |
0 | C23 H28 N10 O13 S2 | InChI=1S/C23H28N10O13S2/c 1-23(2,19(40)41)45-30-16( 13-9-47-20(24)28-13)18(39 )27-10(7-34)4-26-21-31-48 (43,46-44-21)33-22(42)32( 6-11(36)8-35)17(29-33)12- 3-14(37)15(38)5-25-12/h3, 5,7,9-11,35-36,38,43H,4,6 ,8H2,1-2H3,(H2,24,28)(H,2 5,37)(H,26,31)(H,27,39)(H ,40,41)/b30-16-/t10-,11+/ m0/s1; JVOPYPNERYUSGO-DXKYJFGHSA-N |
CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(CN= C2NS(OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O) CC(CO)O)O)C=O; CC(C)(C(=O)O)O/N=C(/c1csc (n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)( N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO) O)O)C=O; CC(C)(ON=C(C(=O)N[CH](CN=C1N[S] (O)(OO1)N2N=C(N(C[CH](O)CO)C2=O)c3cc(O)c (O)cn3)C=O)c4csc(N)n4)C(O)=O; O=C(O)C(O\ N=C(\c1nc(sc1)N)C(=O)NC(C=O)C/N=C4\OOS(O )(N3N=C(c2ncc(O)c(O)c2)N(C3=O)CC(O)CO)N4 )(C)C; CC(C)(O\N=C(/C(=O)N[C@@H](CN=C1N[ S@@](O)(OO1)N2N=C(N(C[C@@H](O)CO)C2=O)c3 cc(O)c(O)cn3)C=O)c4csc(N)n4)C(O)=O |
2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1S)-2-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid; MC-1 |
| 33244 | MC9 ZINC000003921872 |
1 | C27 H40 O3 | InChI=1S/C27H40O3/c1-17(6 -13-25(29)20-8-9-20)23-11 -12-24-19(5-4-14-27(23,24 )3)7-10-21-15-22(28)16-26 (30)18(21)2/h6-7,10,13,17 ,20,22-26,28-30H,2,4-5,8- 9,11-12,14-16H2,1,3H3/b13 -6+,19-7+,21-10-/t17-,22- ,23-,24+,25-,26+,27-/m1/s 1; LWQQLNNNIPYSNX-UROSTWAQSA-N |
C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H] 3C(/CCC[C@]23C)=C/C=C4/C[C@@H](O)C[C@H]( O)C4=C; C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2 CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C [C@@H](C4=C)O)O)C; CC(C=CC(C1CC1)O)C2CCC 3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C; OC4C(=C )/C(=C\C=C2/CCCC3(C)C(C(/C=C/C(O)C1CC1)C )CCC23)CC(O)C4; C[CH](C=C[CH](O)C1CC1)[C H]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH ](O)C4=C |
CALCIPOTRIOL; (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL; 1-ALPHA,24S-(OH)2-22-ENE-26,27-DEHYDROVITAMIN D3 |
| 33245 | MCA DB04045 ZINC000008551337 |
23 | C25 H40 N7 O19 P3 S | InChI=1S/C25H40N7O19P3S/c 1-12(23(37)38)24(39)55-7- 6-27-14(33)4-5-28-21(36)1 8(35)25(2,3)9-48-54(45,46 )51-53(43,44)47-8-13-17(5 0-52(40,41)42)16(34)22(49 -13)32-11-31-15-19(26)29- 10-30-20(15)32/h10-13,16- 18,22,34-35H,4-9H2,1-3H3, (H,27,33)(H,28,36)(H,37,3 8)(H,43,44)(H,45,46)(H2,2 6,29,30)(H2,40,41,42)/t12 -,13-,16-,17-,18+,22-/m1/ s1; MZFOKIKEPGUZEN-AGCMQPJKSA-N |
C[CH](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH]( O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O [CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N) ncnc23; O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C( O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc 1c(ncnc12)N)C(O)C3OP(=O)(O)O)C; C[C@H](C (O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C) (C)CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@ H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N )ncnc23; C[C@H](C(=O)O)C(=O)SCCNC(=O)CCN C(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@]( =O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c nc3c2ncnc3N)O)OP(=O)(O)O)O; CC(C(=O)O)C( =O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O P(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP (=O)(O)O)O |
METHYLMALONYL-COENZYME A |
| 33246 | MCB CHEMBL170365 |
0 | C2 H4 O | InChI=1/C2H4O/c1-2-3/h2H, 1H3; IKHGUXGNUITLKF-UHFFFAOYAB |
CC=O; O=CC | METHYLENE CARBONYL GROUP |
| 33247 | MCD ZINC000195757938 |
3 | C26 H42 N7 O19 P3 | InChI=1S/C26H42N7O19P3/c1 -13(25(39)40)14(34)5-4-7- 28-16(35)6-8-29-23(38)20( 37)26(2,3)10-49-55(46,47) 52-54(44,45)48-9-15-19(51 -53(41,42)43)18(36)24(50- 15)33-12-32-17-21(27)30-1 1-31-22(17)33/h11-13,15,1 8-20,24,36-37H,4-10H2,1-3 H3,(H,28,35)(H,29,38)(H,3 9,40)(H,44,45)(H,46,47)(H 2,27,30,31)(H2,41,42,43)/ t13-,15+,18+,19+,20-,24+/ m0/s1; NFOFXPNZJMTBQW-XSSXAYJJSA-N |
O=C(O)C(C(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1 2)N)C(O)C3OP(=O)(O)O)C; C[C@H](C(O)=O)C( =O)CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@ ](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H] (O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; CC(C(=O)CCCNC(=O)CCNC(=O)C(C(C)(C)COP(= O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3 N)O)OP(=O)(O)O)O)C(=O)O; C[C@@H](C(=O)CC CNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O) (O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@ @H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(= O)O; C[CH](C(O)=O)C(=O)CCCNC(=O)CCNC(=O) [CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[ CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc 3c(N)ncnc23 |
METHYLMALONYL(CARBADETHIA)-COENZYME A |
| 33248 | MCE CHEMBL46058 DB13259 |
0 | C2 H5 Cl | InChI=1/C2H5Cl/c1-2-3/h2H 2,1H3; HRYZWHHZPQKTII-UHFFFAOYAJ |
CCCl; ClCC | CHLOROETHYL GROUP |
| 33249 | MCF CHEMBL1234234 ZINC000043171427 |
8 | C12 H18 N4 O4 S | InChI=1S/C12H18N4O4S/c1-2 1-3-7-9(18)10(19)12(20-7) 16-5-15-8-6(17)2-13-4-14- 11(8)16/h4-7,9-10,12,17-1 9H,2-3H2,1H3,(H,13,14)/t6 -,7-,9-,10-,12-/m1/s1; QLPPCUVJNCMYFD-SANHVUMCSA-N |
CSCC1C(C(C(O1)n2cnc3c2N=CNCC3O)O)O; CSC[ C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CN C[C@H]3O)O)O; CSC[CH]1O[CH]([CH](O)[CH]1 O)n2cnc3[CH](O)CNC=Nc23; CSC[C@H]1O[C@H] ([C@H](O)[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23 ; n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3O)CSC |
(8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol |
| 33250 | MCG CHEMBL257626 DB04256 ZINC000002559035 |
2 | C10 H11 N O4 | InChI=1S/C10H11NO4/c1-10( 11,9(14)15)7-4-2-6(3-5-7) 8(12)13/h2-5H,11H2,1H3,(H ,12,13)(H,14,15)/t10-/m0/ s1; DNCAZYRLRMTVSF-JTQLQIEISA-N |
C[C](N)(C(O)=O)c1ccc(cc1)C(O)=O; CC(c1cc c(cc1)C(=O)O)(C(=O)O)N; C[C@@](N)(C(O)=O )c1ccc(cc1)C(O)=O; O=C(O)C(N)(c1ccc(C(=O )O)cc1)C; C[C@](c1ccc(cc1)C(=O)O)(C(=O)O )N |
(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE; 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID |
| 33251 | MCH CHEMBL44618 DB11387 ZINC000008214524 |
3 | C H Cl3 | InChI=1S/CHCl3/c2-1(3)4/h 1H; HEDRZPFGACZZDS-UHFFFAOYSA-N |
C(Cl)(Cl)Cl; ClC(Cl)Cl | trichloromethane; Chloroform CHCl3 |
| 33252 | MCI ZINC000263620375 |
2 | C19 H19 N5 O3 S2 | InChI=1S/C19H19N5O3S2/c25 -18(14(11-28)7-6-13-4-2-1 -3-5-13)21-17(19(26)27)16 -9-8-15(29-16)10-24-12-20 -22-23-24/h1-5,8-9,12,14, 28H,6-7,10-11H2,(H,26,27) /t14-/m1/s1; DUKDFMPUZRDWLT-CQSZACIVSA-N |
c1ccc(cc1)CCC(CS)C(=O)N=C(c2ccc(s2)Cn3cn nn3)C(=O)O; OC(=O)C(=NC(=O)[C@@H](CS)CCc 1ccccc1)c2sc(Cn3cnnn3)cc2; OC(=O)C(=NC(= O)[CH](CS)CCc1ccccc1)c2sc(Cn3cnnn3)cc2; c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)C n3cnnn3)C(=O)O; O=C(O)C(=N\C(=O)C(CCc1cc ccc1)CS)/c2sc(cc2)Cn3nnnc3 |
(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID; MERCAPTOCARBOXYLATE INHIBITOR |
| 33253 | MCJ ZINC000058638937 |
1 | C30 H29 N3 O16 | InChI=1S/C30H29N3O16/c34- 10-16(31-25(41)13-4-1-7-1 9(35)22(13)38)29(46)49-12 -18(33-27(43)15-6-3-9-21( 37)24(15)40)30(47)48-11-1 7(28(44)45)32-26(42)14-5- 2-8-20(36)23(14)39/h1-9,1 6-18,34-40H,10-12H2,(H,31 ,41)(H,32,42)(H,33,43)(H, 44,45)/t16-,17+,18-/m0/s1; NTWRWGRCGVKQNS-KSZLIROESA-N |
OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC (=O)c2cccc(O)c2O)C(=O)OC[CH](NC(=O)c3ccc c(O)c3O)C(O)=O; c1cc(c(c(c1)O)O)C(=O)NC( CO)C(=O)OCC(C(=O)OCC(C(=O)O)NC(=O)c2cccc (c2O)O)NC(=O)c3cccc(c3O)O; O=C(O)C(NC(=O )c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2 O)COC(=O)C(NC(=O)c3cccc(O)c3O)CO; c1cc(c (c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H]( C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)N C(=O)c3cccc(c3O)O; OC[C@H](NC(=O)c1cccc( O)c1O)C(=O)OC[C@H](NC(=O)c2cccc(O)c2O)C( =O)OC[C@@H](NC(=O)c3cccc(O)c3O)C(O)=O |
N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine |
| 33254 | MCK ZINC000058638940 |
1 | C23 H25 N3 O13 | InChI=1S/C23H25N3O13/c24- 12(7-27)22(36)38-9-14(26- 20(33)11-4-2-6-16(29)18(1 1)31)23(37)39-8-13(21(34) 35)25-19(32)10-3-1-5-15(2 8)17(10)30/h1-6,12-14,27- 31H,7-9,24H2,(H,25,32)(H, 26,33)(H,34,35)/t12-,13-, 14-/m0/s1; AVZOYWMPRGKOPV-IHRRRGAJSA-N |
N[CH](CO)C(=O)OC[CH](NC(=O)c1cccc(O)c1O) C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O; c 1cc(c(c(c1)O)O)C(=O)NC(COC(=O)C(CO)N)C(= O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O; c1cc(c( c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N) C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O; O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC( =O)c2cccc(O)c2O)COC(=O)C(N)CO; N[C@@H](C O)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O C[C@H](NC(=O)c2cccc(O)c2O)C(O)=O |
N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine |
| 33255 | MCL | 0 | C9 H16 N2 O4 | InChI=1S/C9H16N2O4/c1-6(8 (12)13)11-5-3-2-4-7(10)9( 14)15/h7H,2-5,10H2,1H3,(H ,12,13)(H,14,15)/b11-6+/t 7-/m0/s1; JXBWDTJQFXOTMZ-KEXZDQNZSA-N |
CC(=NCCCC[CH](N)C(O)=O)C(O)=O; CC(=NCCCC [C@H](N)C(O)=O)C(O)=O; C/C(=N\CCCC[C@@H] (C(=O)O)N)/C(=O)O; NC(CCCC\N=C(/C)C(O)=O )C(=O)O; CC(=NCCCCC(C(=O)O)N)C(=O)O |
NZ-(1-CARBOXYETHYL)-LYSINE |
| 33256 | MCM CHEMBL270672 DB08168 ZINC000000057949 |
20 | C10 H9 N O2 | InChI=1S/C10H9NO2/c1-6-4- 10(12)13-9-5-7(11)2-3-8(6 )9/h2-5H,11H2,1H3; GLNDAGDHSLMOKX-UHFFFAOYSA-N |
CC1=CC(=O)Oc2c1ccc(c2)N; CC1=CC(=O)Oc2cc (N)ccc12; O=C2Oc1cc(ccc1C(=C2)C)N |
7-AMINO-4-METHYL-CHROMEN-2-ONE; 7-AMINO-4-METHYLCOUMARIN |
| 33257 | MCN ZINC000263620965 |
47 | C19 H22 N8 O13 P2 S2 | InChI=1S/C19H22N8O13P2S2/ c20-7-1-2-27(19(31)22-7)1 7-11(29)10(28)5(39-17)3-3 6-41(32,33)40-42(34,35)37 -4-6-12(43)13(44)8-16(38- 6)24-14-9(23-8)15(30)26-1 8(21)25-14/h1-2,5-6,10-11 ,17,28-29,43-44H,3-4H2,(H ,32,33)(H,34,35)(H2,20,22 ,31)(H3,21,24,25,26,30)/t 5-,6-,10-,11-,17-/m1/s1; RBWYFPNWTRZKKZ-LOIMWUFNSA-N |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP (=O)(O)OCC3C(=C(c4c(nc5c(n4)c(nc(n5)N)O) O3)S)S)O)O; NC1=NC(=O)N(C=C1)[C@@H]2O[C@ H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3Oc4 nc5nc(N)nc(O)c5nc4C(=C3S)S)[C@@H](O)[C@H ]2O; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H ]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[ C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S) S)O)O; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P] (O)(=O)O[P](O)(=O)OC[CH]3Oc4nc5nc(N)nc(O )c5nc4C(=C3S)S)[CH](O)[CH]2O; O=P(O)(OCC 1Oc2nc3nc(nc(O)c3nc2C(S)=C1S)N)OP(=O)(O) OCC5OC(N4C(=O)N=C(N)C=C4)C(O)C5O |
PTERIN CYTOSINE DINUCLEOTIDE |
| 33258 | MCO CHEMBL434965 ZINC000000020226 |
17 | C9 H15 N O3 S | InChI=1S/C9H15NO3S/c1-6(5 -14)8(11)10-4-2-3-7(10)9( 12)13/h6-7,14H,2-5H2,1H3, (H,12,13)/t6-,7-/m1/s1; FAKRSMQSSFJEIM-RNFRBKRXSA-N |
C[CH](CS)C(=O)N1CCC[CH]1C(O)=O; C[C@H](C S)C(=O)N1CCC[C@@H]1C(O)=O; OC(=O)C1CCCN1 C(=O)C(C)CS; CC(CS)C(=O)N1CCCC1C(=O)O; C [C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID |
| 33259 | MCP ZINC000006468261 |
0 | C7 H13 N O2 | InChI=1S/C7H13NO2/c1-5-2- 3-8-6(4-5)7(9)10/h5-6,8H, 2-4H2,1H3,(H,9,10)/t5-,6- /m1/s1; UQHCHLWYGMSPJC-PHDIDXHHSA-N |
C[CH]1CCN[CH](C1)C(O)=O; C[C@@H]1CCN[C@H ](C1)C(=O)O; O=C(O)C1NCCC(C)C1; CC1CCNC( C1)C(=O)O; C[C@@H]1CCN[C@H](C1)C(O)=O |
2-CARBOXY-4-METHYLPIPERIDINE |
| 33260 | MCQ ZINC000584905628 |
0 | C18 H25 N3 O5 S2 | InChI=1S/C18H25N3O5S2/c1- 27-8-6-13(19)17-20-15(18( 26)21(17)10-14(24)25)16(2 8-9-7-22)11-2-4-12(23)5-3 -11/h2-5,13,15-16,22-23H, 6-10,19H2,1H3,(H,24,25)/t 13-,15-,16+/m1/s1; UHNJBECKZOYAMH-BMFZPTHFSA-N |
CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(c c2)O)SCCO)N; CSCC[C@@H](N)C1=N[C@H]([C@@ H](SCCO)c2ccc(O)cc2)C(=O)N1CC(O)=O; CSCC C(C1=NC(C(=O)N1CC(=O)O)C(c2ccc(cc2)O)SCC O)N; C(O)(=O)CN1C(C(N)CCSC)=NC(C1=O)C(c2 ccc(O)cc2)SCCO; CSCC[CH](N)C1=N[CH]([CH] (SCCO)c2ccc(O)cc2)C(=O)N1CC(O)=O |
{(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| 33261 | MCR CHEMBL116455 DB15429 ZINC000004658574 |
4 | C2 H4 O2 S | InChI=1S/C2H4O2S/c3-2(4)1 -5/h5H,1H2,(H,3,4); CWERGRDVMFNCDR-UHFFFAOYSA-N |
C(C(=O)O)S; O=C(O)CS; OC(=O)CS | SULFANYLACETIC ACID; MERCAPTOACETIC ACID |
| 33262 | MCS ZINC000058638942 |
0 | C6 H9 N O5 S | InChI=1S/C6H9NO5S/c7-3(6( 11)12)2-13-5(10)1-4(8)9/h 3H,1-2,7H2,(H,8,9)(H,11,1 2)/t3-/m0/s1; SAKROQSNEZIDKV-VKHMYHEASA-N |
N[C@@H](CSC(=O)CC(O)=O)C(O)=O; C([C@@H]( C(=O)O)N)SC(=O)CC(=O)O; O=C(O)C(N)CSC(=O )CC(=O)O; C(C(C(=O)O)N)SC(=O)CC(=O)O; N[ CH](CSC(=O)CC(O)=O)C(O)=O |
MALONYL CYSTEINE |
| 33263 | MCT CHEMBL158766 DB04120 ZINC000013512210 |
20 | C7 H8 O2 | InChI=1S/C7H8O2/c1-5-2-3- 6(8)7(9)4-5/h2-4,8-9H,1H3; ZBCATMYQYDCTIZ-UHFFFAOYSA-N |
Cc1ccc(c(c1)O)O; Oc1ccc(cc1O)C; Cc1ccc(O )c(O)c1 |
4-METHYLCATECHOL; 4-METHYL-1,2-BENZENEDIOL |
| 33264 | MCU ZINC000077303174 |
1 | C8 H14 O7 | InChI=1S/C8H14O7/c1-13-5- 3(9)4(10)7(11)15-6(5)8(12 )14-2/h3-7,9-11H,1-2H3/t3 -,4-,5+,6+,7-/m1/s1; MKGHDZIEKZPBCZ-ULQPCXBYSA-N |
O=C(OC)C1OC(O)C(O)C(O)C1OC; CO[C@H]1[C@H ](O)[C@@H](O)[C@H](O)O[C@@H]1C(=O)OC; CO [CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(=O)OC; CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(= O)OC)O)O)O; COC1C(C(C(OC1C(=O)OC)O)O)O |
methyl 4-O-methyl-beta-D-glucopyranuronate; methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate |
| 33265 | MCV CHEMBL107023 ZINC000005889010 |
4 | C16 H18 N4 O2 S | InChI=1S/C16H18N4O2S/c1-2 1-11-5-6-12(22-2)9(7-11)3 -4-10-8-23-15-13(10)14(17 )19-16(18)20-15/h5-8H,3-4 H2,1-2H3,(H4,17,18,19,20); XJFDLPAAAIBWID-UHFFFAOYSA-N |
COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC; C Oc1ccc(OC)c(CCc2csc3nc(N)nc(N)c23)c1; n1 c(c2c(nc1N)scc2CCc3cc(OC)ccc3OC)N |
5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine |
| 33266 | MCW CHEMBL430845 ZINC000001603220 |
0 | C7 H6 O3 | InChI=1S/C7H6O3/c1-10-7-4 -5(8)2-3-6(7)9/h2-4H,1H3; ZJKWJHONFFKJHG-UHFFFAOYSA-N |
COC1=CC(=O)C=CC1=O; O=C1C=CC(=O)C=C1OC | 2-methoxycyclohexa-2,5-diene-1,4-dione |
| 33267 | MCX ZINC000060392889 |
1 | C30 H51 N5 O5 | InChI=1S/C30H51N5O5/c1-28 (2,3)23(33-27(40)34-30(6) 13-8-7-9-14-30)26(39)35-1 6-18-20(29(18,4)5)21(35)2 5(38)32-19(22(36)24(31)37 )15-17-11-10-12-17/h17-23 ,36H,7-16H2,1-6H3,(H2,31, 37)(H,32,38)(H2,33,34,40) /t18-,19-,20-,21-,22+,23+ /m0/s1; WDNKLUIQDGESNW-CSCWZEDUSA-N |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3 (CCCCC3)C)C(=O)NC(CC4CCC4)C(C(=O)N)O)C; CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C (C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H]( CC4CCC4)[C@H](C(=O)N)O)C; CC(C)(C)[CH](N C(=O)NC1(C)CCCCC1)C(=O)N2C[CH]3[CH]([CH] 2C(=O)N[CH](CC4CCC4)[CH](O)C(N)=O)C3(C)C ; CC(C)(C)[C@H](NC(=O)NC1(C)CCCCC1)C(=O) N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CC4CC C4)[C@@H](O)C(N)=O)C3(C)C; O=C(N3C(C(=O) NC(CC1CCC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC (=O)NC4(C)CCCCC4)C(C)(C)C |
(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide; Boceprevir derivative, bound form |
| 33268 | MCY CHEMBL1234242 ZINC000001303441 |
2 | C10 H15 N3 O4 | InChI=1S/C10H15N3O4/c1-5- 3-13(10(16)12-9(5)11)8-2- 6(15)7(4-14)17-8/h3,6-8,1 4-15H,2,4H2,1H3,(H2,11,12 ,16)/t6-,7+,8+/m0/s1; LUCHPKXVUGJYGU-XLPZGREQSA-N |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O) N=C1N; CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([ C@H](O2)CO)O; O=C1N=C(N)C(=CN1C2OC(C(O)C 2)CO)C; CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O ; CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)N= C1N |
5-METHYL-2'-DEOXYCYTIDINE |
| 33269 | MCZ CHEMBL333950 ZINC000004474617 |
1 | C26 H42 O4 | InChI=1S/C26H42O4/c1-17-2 0(15-21(27)16-24(17)28)9- 8-19-7-6-12-26(5)22(10-11 -23(19)26)18(2)30-14-13-2 5(3,4)29/h8-9,18,21-24,27 -29H,1,6-7,10-16H2,2-5H3/ b19-8+,20-9-/t18-,21+,22+ ,23-,24-,26+/m0/s1; DTXXSJZBSTYZKE-ZDQKKZTESA-N |
C[CH](OCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12 C)=CC=C3C[CH](O)C[CH](O)C3=C; OC3C(=C)\C (=C/C=C1\CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12 )CC(O)C3; CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C 3=C)O)O)C)OCCC(C)(C)O; C[C@@H]([C@H]1CC[ C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@ @H](C3=C)O)O)C)OCCC(C)(C)O; C[C@H](OCCC( C)(C)O)[C@H]1CC[C@H]2C(/CCC[C@]12C)=C/C= C3/C[C@@H](O)C[C@H](O)C3=C |
(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol; Maxacalcitol |
| 33270 | MD0 | 1 | C6 H14 N2 O2 | InChI=1S/C6H14N2O2/c1-4(2 -3-7)5(8)6(9)10/h4-5H,2-3 ,7-8H2,1H3,(H,9,10)/t4-,5 -/m1/s1; HYUPFEBCCJWDJX-RFZPGFLSSA-N |
C[CH](CCN)[CH](N)C(O)=O; C[C@H](CCN)[C@@ H](N)C(O)=O; CC(CCN)C(C(=O)O)N; C[C@H](C CN)[C@H](C(=O)O)N; O=C(O)C(N)C(CCN)C |
5-amino-D-isoleucine |
| 33271 | MD1 ZINC000195826882 |
47 | C20 H26 N10 O13 P2 S2 | InChI=1S/C20H26N10O13P2S2 /c21-19-26-14-8(16(34)28- 19)25-5(1-23-14)12(46)13( 47)6(31)2-40-44(36,37)43- 45(38,39)41-3-7-10(32)11( 33)18(42-7)30-4-24-9-15(3 0)27-20(22)29-17(9)35/h1, 4-7,10-11,18,25,31-33,46- 47H,2-3H2,(H,36,37)(H,38, 39)(H3,21,26,28,34)(H3,22 ,27,29,35)/b13-12-/t5-,6- ,7-,10-,11-,18-/m1/s1; IRGDLSAXQOKWLX-XHEYTWMPSA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C @H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O )N=C(NC2=O)N; O=C2NC(=NC=1N=CC(NC=12)C(/ S)=C(/S)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(n4 cnc3c4N=C(N)NC3=O)C(O)C5O)N; NC1=NC2=C(N [CH](C=N2)C(S)=C(S)[CH](O)CO[P](O)(=O)O[ P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn c5C(=O)NC(=Nc45)N)C(=O)N1; NC1=NC2=C(N[C @H](C=N2)C(\S)=C(S)/[C@H](O)CO[P](O)(=O) O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H] 3O)n4cnc5C(=O)NC(=Nc45)N)C(=O)N1; c1nc2c (n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(= C(C4C=NC5=C(N4)C(=O)NC(=N5)N)S)S)O)O)O)N =C(NC2=O)N |
PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER |
| 33272 | MD2 CHEMBL417844 DB04188 ZINC000003874176 |
4 | C12 H20 N2 | InChI=1S/C12H20N2/c1-3-5- 9-13-11-7-8-12-14-10-6-4- 2/h5-6,13-14H,1-2,7-12H2; IKSQCMLJDHRWOA-UHFFFAOYSA-N |
C(=C\CNCCCCNC/C=C=C)=C; C=C=CCNCCCCNCC=C =C; [CH2]=[C]=[CH]CNCCCCNC[CH]=[C]=[CH2] |
N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE; MDL72527 |
| 33273 | MD3 CHEMBL2030872 ZINC000084669901 |
1 | C16 H15 N O5 S | InChI=1S/C16H15NO5S/c18-1 4(16(21)22)17-13(15(19)20 )9-23-8-10-5-6-11-3-1-2-4 -12(11)7-10/h1-7,13H,8-9H 2,(H,17,18)(H,19,20)(H,21 ,22)/t13-/m0/s1; TUTBXYUXRIILSH-ZDUSSCGKSA-N |
OC(=O)[C@H](CSCc1ccc2ccccc2c1)NC(=O)C(O) =O; O=C(O)C(=O)NC(C(=O)O)CSCc2ccc1c(cccc 1)c2; c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)N C(=O)C(=O)O; OC(=O)[CH](CSCc1ccc2ccccc2c 1)NC(=O)C(O)=O; c1ccc2cc(ccc2c1)CSCC(C(= O)O)NC(=O)C(=O)O |
N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine |
| 33274 | MD4 ZINC000263620566 |
4 | C16 H22 N5 | InChI=1S/C16H22N5/c1-21(2 )14-3-4-15(21)10-13(9-14) 20-11-16(18-19-20)12-5-7- 17-8-6-12/h5-8,11,13-15H, 3-4,9-10H2,1-2H3/q+1/t13- ,14-,15+; IRDLJZVYUZKXLE-QKDCVEJESA-N |
C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4c cncc4)C; n1nn(cc1c2ccncc2)C4CC3CCC([N+]3 (C)C)C4; C[N+]1(C)[C@@H]2CC[C@H]1CC(C2)n 3cc(nn3)c4ccncc4; C[N+]1(C)[CH]2CC[CH]1C C(C2)n3cc(nn3)c4ccncc4; C[N+]1(C2CCC1CC( C2)n3cc(nn3)c4ccncc4)C |
(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane |
| 33275 | MD5 CHEMBL2030869 ZINC000084653793 |
1 | C12 H12 N2 O7 S | InChI=1S/C12H12N2O7S/c15- 10(12(18)19)13-9(11(16)17 )6-22-5-7-2-1-3-8(4-7)14( 20)21/h1-4,9H,5-6H2,(H,13 ,15)(H,16,17)(H,18,19)/t9 -/m0/s1; OBSYIMVMIJBTMQ-VIFPVBQESA-N |
OC(=O)[CH](CSCc1cccc(c1)[N+]([O-])=O)NC( =O)C(O)=O; c1cc(cc(c1)[N+](=O)[O-])CSC[C @@H](C(=O)O)NC(=O)C(=O)O; c1cc(cc(c1)[N+ ](=O)[O-])CSCC(C(=O)O)NC(=O)C(=O)O; O=[N +]([O-])c1cc(ccc1)CSCC(C(=O)O)NC(=O)C(=O )O; OC(=O)[C@H](CSCc1cccc(c1)[N+]([O-])= O)NC(=O)C(O)=O |
N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine |
| 33276 | MD6 CHEMBL1256568 ZINC000033978615 |
2 | C8 H8 N2 O4 | InChI=1S/C8H8N2O4/c11-5-2 -1-3-9-7(5)8(14)10-4-6(12 )13/h1-3,11H,4H2,(H,10,14 )(H,12,13); IZQMRNMMPSNPJM-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1ncccc1O; O=C(c1ncccc1O)NC C(=O)O; c1cc(c(nc1)C(=O)NCC(=O)O)O |
N-[(3-hydroxypyridin-2-yl)carbonyl]glycine |
| 33277 | MD7 CHEMBL142996 DB08169 ZINC000100036435 |
1 | C19 H16 N2 O2 | InChI=1S/C19H16N2O2/c20-1 2-17(18(22)15-6-7-15)19(2 3)21-16-10-8-14(9-11-16)1 3-4-2-1-3-5-13/h1-5,8-11, 15,22H,6-7H2,(H,21,23)/b1 8-17-; CAGGGMPTWTUYHZ-ZCXUNETKSA-N |
O=C(C(\C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)c c3; c1ccc(cc1)c2ccc(cc2)NC(=O)C(=C(C3CC3 )O)C#N; c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C( /C3CC3)\O)/C#N; OC(C1CC1)=C(C#N)C(=O)Nc2 ccc(cc2)c3ccccc3; OC(/C1CC1)=C(/C#N)C(=O )Nc2ccc(cc2)c3ccccc3 |
(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide; N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide |
| 33278 | MD8 | 2 | C21 H25 N3 O3 | InChI=1S/C21H25N3O3/c22-1 8(13-15-5-2-1-3-6-15)21(2 7)24-12-4-7-19(24)20(26)2 3-14-16-8-10-17(25)11-9-1 6/h1-3,5-6,8-11,18-19,25H ,4,7,12-14,22H2,(H,23,26) /t18-,19+/m1/s1; FQTMKKZTHOHYNU-MOPGFXCFSA-N |
c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(cc 3)O)N; N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C( =O)NCc3ccc(O)cc3; N[C@H](Cc1ccccc1)C(=O) N2CCC[C@H]2C(=O)NCc3ccc(O)cc3; c1ccc(cc1 )C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3 )O)N |
(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide |
| 33279 | MD9 | 1 | C30 H28 Mg N4 O4 | InChI=1S/C30H30N4O4.Mg/c1 -15-9-20-12-25-17(3)21(5- 7-29(35)36)27(33-25)14-28 -22(6-8-30(37)38)18(4)26( 34-28)13-24-16(2)10-19(32 -24)11-23(15)31-20;/h9-14 H,5-8H2,1-4H3,(H4,31,32,3 3,34,35,36,37,38);/q;+2/p -2/b19-11-,20-12-,23-11-, 24-13-,25-12-,26-13-,27-1 4-,28-14-;; WOJNEAWSXKLRSI-RWRCOHKGSA-L |
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg] 36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C )C)CCC(=O)O; CC1=CC2=Cc3n4[Mg][N@@]5C(=C C1=N2)C=C(C)C5=CC6=NC(=Cc4c(CCC(O)=O)c3C )C(=C6C)CCC(O)=O; O=C(O)CCC=1C2=Cc4c(c(c 3C=C5C=C(C=6C=C7C=C(C8=CC(C=1C)=N2[Mg](n 34)(N5=6)N78)C)C)C)CCC(=O)O; CC1=CC2=Cc3 n4[Mg][N]5C(=CC1=N2)C=C(C)C5=CC6=NC(=Cc4 c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O |
Magnesium deuteroporphyrin IX |
| 33280 | MDA | 0 | C7 H14 O4 | InChI=1S/C7H14O4/c1-4-6(9 )7(2,10)3-5(8)11-4/h4-6,8 -10H,3H2,1-2H3/t4-,5-,6-, 7+/m1/s1; YQLFLCVNXSPEKQ-GBNDHIKLSA-N |
CC1C(C(CC(O1)O)(C)O)O; C[C@H]1O[C@@H](O) C[C@](C)(O)[C@@H]1O; C[C@@H]1[C@H]([C@@] (C[C@@H](O1)O)(C)O)O; OC1(C)C(O)C(OC(O)C 1)C; C[CH]1O[CH](O)C[C](C)(O)[CH]1O |
2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose; 2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE; 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexose; 2,6-dideoxy-3-C-methyl-D-ribo-hexose; 2,6-dideoxy-3-C-methyl-ribo-hexose |
| 33281 | MDB CHEMBL1209866 ZINC000034047317 |
1 | C22 H34 N4 O5 | InChI=1S/C22H34N4O5/c1-22 (2,3)19(24-21(29)23-16-11 -7-8-12-17(16)31-4)20(28) 26(14-18(27)25-30)13-15-9 -5-6-10-15/h7-8,11-12,15, 19,30H,5-6,9-10,13-14H2,1 -4H3,(H,25,27)(H2,23,24,2 9)/t19-/m1/s1; SGGVRJBZDBEGBH-LJQANCHMSA-N |
O=C(Nc1ccccc1OC)NC(C(=O)N(CC(=O)NO)CC2CC CC2)C(C)(C)C; CC(C)(C)C(C(=O)N(CC1CCCC1) CC(=O)NO)NC(=O)Nc2ccccc2OC; COc1ccccc1NC (=O)N[CH](C(=O)N(CC2CCCC2)CC(=O)NO)C(C)( C)C; COc1ccccc1NC(=O)N[C@H](C(=O)N(CC2CC CC2)CC(=O)NO)C(C)(C)C; CC(C)(C)[C@@H](C( =O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC |
(S)-N-(cyclopentylmethyl)-N-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide |
| 33282 | MDC DB02799 ZINC000033821404 |
4 | C20 H21 N3 O5 | InChI=1S/C20H21N3O5/c1-3- 22(4-2)14-6-5-13-11-15(20 (27)28-16(13)12-14)19(26) 21-9-10-23-17(24)7-8-18(2 3)25/h5-6,9-12H,3-4,7-8H2 ,1-2H3,(H,21,26)/b10-9-; OJBZDUMTXGGVSP-KTKRTIGZSA-N |
CCN(CC)c1ccc2C=C(C(=O)N\C=C/N3C(=O)CCC3= O)C(=O)Oc2c1; O=C1N(C(=O)CC1)\C=C/NC(=O) C2=Cc3c(OC2=O)cc(cc3)N(CC)CC; CCN(CC)c1c cc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3 =O; CCN(CC)c1ccc2C=C(C(=O)NC=CN3C(=O)CCC 3=O)C(=O)Oc2c1 |
N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE |
| 33283 | MDD CHEMBL446036 DB03057 ZINC000005178380 |
3 | C3 H4 O2 | InChI=1S/C3H4O2/c4-2-1-3- 5/h2-3H,1H2; WSMYVTOQOOLQHP-UHFFFAOYSA-N |
C(C=O)C=O; O=CCC=O | MALONALDEHYDE |
| 33284 | MDE DB03698 ZINC000195849543 |
1 | C33 H55 N7 O18 P3 S2 | InChI=1S/C33H54N7O18P3S2/ c1-4-5-6-8-21(62-16-14-41 )9-7-10-24(43)63-15-13-35 -23(42)11-12-36-31(46)28( 45)33(2,3)18-55-61(52,53) 58-60(50,51)54-17-22-27(5 7-59(47,48)49)26(44)32(56 -22)40-20-39-25-29(34)37- 19-38-30(25)40/h7,10,14,1 9-22,26-27,31-32,36,44,46 H,4-6,8-9,11-13,15-18H2,1 -3H3,(H7,34,35,37,38,42,4 7,48,49,50,51,52,53)/p+1/ b10-7+/t21-,22+,26+,27+,3 1+,32+/m0/s1; IJSMUHMCIYOVMM-UAQBTBCQSA-O |
CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(= O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@ H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2n cnc3N)O)OP(=O)(O)O)O)SCC=O; CCCCCC(CC=CC (=O)SCCNC(=O)CCNC(C(=O)C(C)(C)COP(=O)(O) OP(=O)(O)OCC1C(C(C(O1)[n+]2c[nH]c3c2ncnc 3N)O)OP(=O)(O)O)O)SCC=O; CCCCC[CH](CC=CC (=O)SCCNC(=O)CCN[CH](O)C(=O)C(C)(C)CO[P] (O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C H]1O[P](O)(O)=O)[n+]2c[nH]c3c(N)ncnc23)S CC=O; CCCCC[C@@H](C/C=C/C(=O)SCCNC(=O)CC N[C@H](O)C(=O)C(C)(C)CO[P@@](O)(=O)O[P@@ ](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[ P](O)(O)=O)[n+]2c[nH]c3c(N)ncnc23)SCC=O; O=CCSC(CCCCC)C/C=C/C(=O)SCCNC(=O)CCNC(O )C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([ n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O |
5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A |
| 33285 | MDF | 0 | C9 H11 N O4 | InChI=1S/C9H11NO4/c1-14-9 (13)8(10)5-2-6(11)4-7(12) 3-5/h2-4,8,11-12H,10H2,1H 3/t8-/m0/s1; RPSOEOPINVKYBT-QMMMGPOBSA-N |
COC(=O)[C@H](c1cc(cc(c1)O)O)N; COC(=O)[C H](N)c1cc(O)cc(O)c1; COC(=O)[C@@H](N)c1c c(O)cc(O)c1; O=C(OC)C(c1cc(O)cc(O)c1)N; COC(=O)C(c1cc(cc(c1)O)O)N |
META, META'-DI-HYDROXY-PHENYLALANINE |
| 33286 | MDG DB01960 |
0 | C11 H19 N5 O11 P2 | InChI=1/C11H19N5O11P2/c1- 15-3-16(8-5(15)9(19)14-11 (12)13-8)10-7(18)6(17)4(2 6-10)2-25-29(23,24)27-28( 20,21)22/h4,6-7,10,17-18H ,2-3H2,1H3,(H,23,24)(H2,2 0,21,22)(H3,12,13,14,19)/ t4-,6-,7-,10-/m1/s1/f/h14 ,20-21,23H,12H2; QQODJOAVWUWVHJ-HPOUFISBDW |
CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P](O )(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3 )N; CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H ]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O) O)O)O; CN1CN([CH]2O[CH](CO[P](O)(=O)O[P] (O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3) N; CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)C OP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP(=O) (O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O )C3O |
7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE |
| 33287 | MDH DB04225 ZINC000100034046 |
0 | C5 H9 N O2 | InChI=1S/C5H9NO2/c1-3-4(6 -2)5(7)8/h3,6H,1-2H3,(H,7 ,8)/b4-3-; XLSUHJCPPCGPHF-ARJAWSKDSA-N |
CN\C(=C/C)C(O)=O; CC=C(C(=O)O)NC; C\C=C( \C(=O)O)/NC; O=C(O)C(=C/C)/NC; CNC(=CC)C (O)=O |
N-METHYLDEHYDROBUTYRINE |
| 33288 | MDI CHEMBL5272595 |
3 | C27 H26 F2 N4 O | InChI=1S/C27H26F2N4O/c1-1 5-9-11-19(17-10-12-18-16( 2)31-32-22(18)14-17)20-6- 4-8-23(24(15)20)33(3)27(3 4)25-21(26(28)29)7-5-13-3 0-25/h5,7,9-14,23,26H,4,6 ,8H2,1-3H3,(H,31,32)/t23- /m1/s1; ZGVMLURVURNUQI-HSZRJFAPSA-N |
Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F )F)c4ccc5c(n[nH]c5c4)C; Cc1ccc(c2c1[C@@H ](CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c( n[nH]c5c4)C; CN([CH]1CCCc2c(ccc(C)c12)c3 ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F; CN ([C@@H]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH] c4c3)C(=O)c5ncccc5C(F)F |
3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide |
| 33289 | MDJ ZINC000058638588 |
0 | C11 H17 N2 O8 P | InChI=1S/C11H17N2O8P/c12- 7-1-2-13(11(16)6(7)4-14)1 0-3-8(15)9(21-10)5-20-22( 17,18)19/h1-2,8-10,14-15H ,3-5,12H2,(H2,17,18,19)/t 8-,9+,10+/m0/s1; FIHVBWHWCWOFPJ-IVZWLZJFSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO) N)COP(=O)(O)O)O; NC1=C(CO)C(=O)N(C=C1)[C H]2C[CH](O)[CH](CO[P](O)(O)=O)O2; NC1=C( CO)C(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[ P](O)(O)=O)O2; C1C(C(OC1N2C=CC(=C(C2=O)C O)N)COP(=O)(O)O)O; O=P(O)(O)OCC2OC(N1C(= O)C(=C(N)C=C1)CO)CC2O |
4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one |
| 33290 | MDK ZINC000058650097 |
0 | C11 H17 N2 O7 P | InChI=1S/C11H17N2O7P/c1-6 -7(12)2-3-13(11(6)15)10-4 -8(14)9(20-10)5-19-21(16, 17)18/h2-3,8-10,14H,4-5,1 2H2,1H3,(H2,16,17,18)/t8- ,9+,10+/m0/s1; OHKFCCHWVFFUOJ-IVZWLZJFSA-N |
CC1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O) N; O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)C) CC2O; CC1=C(N)C=CN([C@H]2C[C@H](O)[C@@H] (CO[P](O)(O)=O)O2)C1=O; CC1=C(C=CN(C1=O) [C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N; CC1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)( O)=O)O2)C1=O |
4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one |
| 33291 | MDL ZINC000003831793 |
1 | C28 H29 F5 N4 O3 | InChI=1S/C28H29F5N4O3/c1- 34-22(14-17-8-3-2-4-9-17) 26(40)37-13-7-12-23(37)25 (39)36-21(24(38)27(29,30) 28(31,32)33)15-18-16-35-2 0-11-6-5-10-19(18)20/h2-6 ,8-11,16,21-23,34-35H,7,1 2-15H2,1H3,(H,36,39)/t21- ,22+,23-/m0/s1; WFJABZVISMTOSO-ZRBLBEILSA-N |
CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(Cc3c[n H]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F; CN[C@H ](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H] (Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F; O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1 nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4; CN[C@H ](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H] (Cc3c[nH]c4ccccc34)C(=O)C(F)(F)C(F)(F)F; CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[ CH](Cc3c[nH]c4ccccc34)C(=O)C(F)(F)C(F)(F )F |
[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE |
| 33292 | MDN CHEMBL180570 DB14078 ZINC000008015016 |
18 | C H6 O6 P2 | InChI=1S/CH6O6P2/c2-8(3,4 )1-9(5,6)7/h1H2,(H2,2,3,4 )(H2,5,6,7); MBKDYNNUVRNNRF-UHFFFAOYSA-N |
C(P(=O)(O)O)P(=O)(O)O; O[P](O)(=O)C[P](O )(O)=O; O=P(O)(O)CP(=O)(O)O |
METHYLENEDIPHOSPHONIC ACID |
| 33293 | MDO ZINC000058638544 |
0 | C8 H11 N3 O3 | InChI=1S/C8H11N3O3/c1-4(9 )7-10-5(2)8(14)11(7)3-6(1 2)13/h4H,2-3,9H2,1H3,(H,1 2,13)/t4-/m0/s1; OVDQQXSNYCENRU-BYPYZUCNSA-N |
C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N; C[C@H ](N)C1=NC(=C)C(=O)N1CC(O)=O; CC(C1=NC(=C )C(=O)N1CC(=O)O)N; C[CH](N)C1=NC(=C)C(=O )N1CC(O)=O; O=C1C(\N=C(N1CC(=O)O)C(N)C)= C |
{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; 4-METHYLIDENE-5-ONE; PEPTIDE DERIVED CHROMOPHORE |
| 33294 | MDP ZINC000058650806 |
0 | C11 H19 N O9 | InChI=1S/C11H19NO9/c1-4(9 (15)16)20-8-6(12(2)11(18) 19)10(17)21-5(3-13)7(8)14 /h4-8,10,13-14,17H,3H2,1- 2H3,(H,15,16)(H,18,19)/t4 -,5-,6-,7-,8-,10-/m1/s1; PVOFHMJNZUCTDT-MXGCPANSSA-N |
O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C; C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@ @H]([C@H]1O)CO)O)N(C)C(=O)O; C[C@@H](O[C @H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1N( C)C(O)=O)C(O)=O; CC(C(=O)O)OC1C(C(OC(C1O )CO)O)N(C)C(=O)O; C[CH](O[CH]1[CH](O)[CH ](CO)O[CH](O)[CH]1N(C)C(O)=O)C(O)=O |
N-carboxyl-N-methyl-beta-muramic acid; N-CARBOXY-N-METHYL-MURAMIC ACID |
| 33295 | MDQ | 0 | C10 H16 N3 O8 P | InChI=1S/C10H15N3O8P/c11- 8-1-2-12(10(16)13(8)5-14) 9-3-6(15)7(21-9)4-20-22(1 7,18)19/h1-2,6-7,9,11,15H ,3-5H2,(H2,17,18,19)/q-1/ p+1/t6-,7+,9+/m0/s1; BDBXEKDYKCTPAE-LKEWCRSYSA-O |
NC1=[N+](C[O-])C(=O)N(C=C1)[C@H]2C[C@H]( O)[C@@H](CO[P](O)(O)=O)O2; C1[C@@H]([C@H ](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(= O)(O)O)O; NC1=[N+](C[O-])C(=O)N(C=C1)[CH ]2C[CH](O)[CH](CO[P](O)(O)=O)O2; C1C(C(O C1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O) O; O=P(O)(O)OCC2OC(N1C(=O)[N+](=C(N)C=C1 )C[O-])CC2O |
2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate) |
| 33296 | MDR CHEMBL1234254 DB03735 ZINC000006069212 |
6 | C11 H14 N4 O3 | InChI=1S/C11H14N4O3/c1-6- 10-11(13-4-12-6)15(5-14-1 0)9-2-7(17)8(3-16)18-9/h4 -5,7-9,16-17H,2-3H2,1H3/t 7-,8+,9+/m0/s1; SJXRKKYXNZWKDB-DJLDLDEBSA-N |
Cc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3; n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C; Cc1c2 c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O ; Cc1c2c(ncn1)n(cn2)C3CC(C(O3)CO)O; Cc1n cnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3 |
9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE |
| 33297 | MDS | 1 | C15 H24 N8 O6 S2 | InChI=1S/C15H24N8O6S2/c1- 30-3-2-7(16)14(26)22-31(2 7,28)21-4-8-10(24)11(25)1 5(29-8)23-6-20-9-12(17)18 -5-19-13(9)23/h5-8,10-11, 15,21,24-25H,2-4,16H2,1H3 ,(H,22,26)(H2,17,18,19)/t 7-,8?,10?,11?,15?/m0/s1; DAUQVCLMADDCHF-QWRDWHBNSA-N |
CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H ]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N; CSCC[C@H](N)C(=O)N[S](=O)(=O)NCC1OC(C(O) C1O)n2cnc3c(N)ncnc23; O=C(NS(=O)(=O)NCC3 OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCSC; CS CC[CH](N)C(=O)N[S](=O)(=O)NCC1OC(C(O)C1O )n2cnc3c(N)ncnc23; CSCCC(C(=O)NS(=O)(=O) NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N |
N-[METHIONYL]-N'-[ADENOSYL]-DIAMINOSULFONE |
| 33298 | MDU ZINC000058649405 |
0 | C11 H17 N2 O9 P | InChI=1S/C11H17N2O9P/c1-6 -3-12(11(17)13(5-14)10(6) 16)9-2-7(15)8(22-9)4-21-2 3(18,19)20/h3,7-9,14-15H, 2,4-5H2,1H3,(H2,18,19,20) /t7-,8+,9+/m0/s1; UGQLUWYICJLJKZ-DJLDLDEBSA-N |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O) =O)O2)C(=O)N(CO)C1=O; CC1=CN(C(=O)N(C1=O )CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O ; O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C) CO)CC2O; CC1=CN(C(=O)N(C1=O)CO)C2CC(C(O2 )COP(=O)(O)O)O; CC1=CN([CH]2C[CH](O)[CH] (CO[P](O)(O)=O)O2)C(=O)N(CO)C1=O |
3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate) |
| 33299 | MDV ZINC000058639176 |
0 | C12 H16 N5 O8 P | InChI=1S/C12H16N5O8P/c18- 5-1-7(25-6(5)2-24-26(21,2 2)23)16-3-13-8-9(16)14-4- 17-10(8)15-11(19)12(17)20 /h3-7,11-12,18-20H,1-2H2, (H2,21,22,23)/t5-,6+,7+,1 1-,12-/m0/s1; MMGFTCXHWADSBK-BJMSXLCZSA-N |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN4C2 =NC(C4O)O; c1nc2c(n1[C@H]3C[C@@H]([C@H]( O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O )n2cnc3c2N=CN4[C@@H](O)[C@H](O)N=C34; O= P(O)(O)OCC4OC(n3cnc2c3N=CN1C2=NC(O)C1O)C C4O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2c nc3c2N=CN4[CH](O)[CH](O)N=C34 |
(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol |
| 33300 | MDW DB08170 ZINC000013588276 |
1 | C18 H20 N2 O7 S | InChI=1S/C18H20N2O7S/c1-2 6-12-3-5-13(6-4-12)28(24, 25)20-8-7-11-9-15(21)16(2 7-2)10-14(11)17(20)18(22) 19-23/h3-6,9-10,17,21,23H ,7-8H2,1-2H3,(H,19,22)/t1 7-/m1/s1; AYFCYVLVRYQGME-QGZVFWFLSA-N |
COc1ccc(cc1)S(=O)(=O)N2CCc3cc(c(cc3C2C(= O)NO)OC)O; O=S(=O)(c1ccc(OC)cc1)N3C(c2c( cc(O)c(OC)c2)CC3)C(=O)NO; COc1ccc(cc1)[S ](=O)(=O)N2CCc3cc(O)c(OC)cc3[C@@H]2C(=O) NO; COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(c c3[C@@H]2C(=O)NO)OC)O; COc1ccc(cc1)[S](= O)(=O)N2CCc3cc(O)c(OC)cc3[CH]2C(=O)NO |
(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE; 6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE |
| 33301 | MDX DB08171 ZINC000002164257 |
2 | C11 H22 O2 S | InChI=1S/C11H22O2S/c12-11 (13)9-7-5-3-1-2-4-6-8-10- 14/h14H,1-10H2,(H,12,13); GWOLZNVIRIHJHB-UHFFFAOYSA-N |
OC(=O)CCCCCCCCCCS; O=C(O)CCCCCCCCCCS; C( CCCCCS)CCCCC(=O)O |
11-MERCAPTOUNDECANOIC ACID |
| 33302 | MDY CHEMBL483161 DB08172 ZINC000100036440 |
1 | C18 H15 Cl N2 O3 | InChI=1S/C18H15ClN2O3/c1- 11(22)14(10-20)18(23)21-1 6-8-7-12(9-15(16)19)13-5- 3-4-6-17(13)24-2/h3-9,22H ,1-2H3,(H,21,23)/b14-11-; YUDQXOMZBLEWBH-KAMYIIQDSA-N |
COc1ccccc1c2ccc(NC(=O)\C(C#N)=C(\C)O)c(C l)c2; Clc1cc(ccc1NC(=O)C(/C#N)=C(\O)C)c2 ccccc2OC; CC(=C(C#N)C(=O)Nc1ccc(cc1Cl)c2 ccccc2OC)O; C/C(=C(\C#N)/C(=O)Nc1ccc(cc1 Cl)c2ccccc2OC)/O; COc1ccccc1c2ccc(NC(=O) C(C#N)=C(C)O)c(Cl)c2 |
(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide |
| 33303 | MDZ ZINC000033836587 |
1 | C15 H26 N2 O7 S | InChI=1S/C15H26N2O7S/c1-7 (2)12(14(21)22)24-15(23)1 1(8(3)25)17-10(18)6-4-5-9 (16)13(19)20/h7-9,11-12,2 5H,4-6,16H2,1-3H3,(H,17,1 8)(H,19,20)(H,21,22)/t8-, 9+,11+,12-/m1/s1; SEWFXDOLNMAGTP-LLHIFLOGSA-N |
CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@H]( N)C(O)=O)[C@@H](C)S)C(O)=O; CC(C)C(C(=O) O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)N; CC( C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O )[CH](C)S)C(O)=O; O=C(OC(C(=O)O)C(C)C)C( NC(=O)CCCC(C(=O)O)N)C(S)C; CC(C)[C@H](C( =O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@ @H](C(=O)O)N |
N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID |
| 33304 | ME0 ZINC000013353753 |
0 | C5 H11 N O3 S | InChI=1S/C5H11NO3S/c6-4(5 (8)9)1-2-10-3-7/h4,7H,1-3 ,6H2,(H,8,9)/t4-/m0/s1; WAYHNLGKMVZKIA-BYPYZUCNSA-N |
C(CSCO)C(C(=O)O)N; C(CSCO)[C@@H](C(=O)O) N; N[C@@H](CCSCO)C(O)=O; N[CH](CCSCO)C(O )=O; O=C(O)C(N)CCSCO |
hydroxy-L-methionine |
| 33305 | ME1 CHEMBL232566 DB08173 ZINC000003948690 |
1 | C19 H16 Cl N3 O3 S | InChI=1S/C19H16ClN3O3S/c2 0-16-9-8-15(27-16)19(26)2 2-11-10-21-18(25)13-4-6-1 4(7-5-13)23-12-2-1-3-17(2 3)24/h1-9,12H,10-11H2,(H, 21,25)(H,22,26); UCKHUNHXYMAFQM-UHFFFAOYSA-N |
Clc1sc(cc1)C(=O)NCCNC(=O)c2ccc(cc2)N3C=C C=CC3=O; c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2 )Cl)N3C=CC=CC3=O; O=C(NCCNC(=O)c2ccc(N1C =CC=CC1=O)cc2)c3sc(Cl)cc3 |
5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE |
| 33306 | ME2 DB03508 ZINC000002040081 |
0 | C7 H16 O3 | InChI=1S/C7H16O3/c1-3-9-6 -7-10-5-4-8-2/h3-7H2,1-2H 3; CNJRPYFBORAQAU-UHFFFAOYSA-N |
O(CCOCCOCC)C; CCOCCOCCOC | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE |
| 33307 | ME3 | 1 | C26 H18 N3 O6 Ru | InChI=1S/C17H9N3O3.C8H9O2 .CHO.Ru/c21-7-3-4-10-9(6- 7)11-13-12(16(22)20-17(13 )23)8-2-1-5-18-14(8)15(11 )19-10;1-2-10-8(9)7-5-3-4 -6-7;1-2;/h1-6H,(H3,18,19 ,20,21,22,23);3-6H,2H2,1H 3;1H;/q;;;+1/p-1; PFOCZSJQLYFAHF-UHFFFAOYSA-M |
CCOC(=O)C12C3[Ru]1456(C3C4C52)(n7c8ccc(c c8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[C H]#O; CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5 ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O] |
RUTHENIUM-PYRIDOCARBAZOLE-3 |
| 33308 | ME4 CHEMBL398380 ZINC000016052355 |
1 | C27 H25 Cl N4 O3 | InChI=1S/C27H25ClN4O3/c28 -21-16-29-24-15-18(10-13- 20(21)24)27(35)31-23-6-2- 1-5-22(23)30-26(34)17-8-1 1-19(12-9-17)32-14-4-3-7- 25(32)33/h3-4,7-16,22-23, 29H,1-2,5-6H2,(H,30,34)(H ,31,35)/t22-,23+/m0/s1; PMRPPULYFDNTHJ-XZOQPEGZSA-N |
Clc1c[nH]c2cc(ccc12)C(=O)N[CH]3CCCC[CH]3 NC(=O)c4ccc(cc4)N5C=CC=CC5=O; Clc1c[nH]c 2cc(ccc12)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O) c4ccc(cc4)N5C=CC=CC5=O; c1cc(ccc1C(=O)N[ C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4C l)N5C=CC=CC5=O; O=C1C=CC=CN1c2ccc(cc2)C( =O)NC5CCCCC5NC(=O)c3ccc4c(c3)ncc4Cl; c1c c(ccc1C(=O)NC2CCCCC2NC(=O)c3ccc4c(c3)[nH ]cc4Cl)N5C=CC=CC5=O |
3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE |
| 33309 | ME5 CHEMBL233992 DB08174 ZINC000016052356 |
1 | C22 H20 Cl N3 O3 S | InChI=1S/C22H20ClN3O3S/c2 3-19-12-11-18(30-19)22(29 )25-17-5-3-4-16(17)24-21( 28)14-7-9-15(10-8-14)26-1 3-2-1-6-20(26)27/h1-2,6-1 3,16-17H,3-5H2,(H,24,28)( H,25,29)/t16-,17+/m0/s1; QCPYHSAHOYXXQK-DLBZAZTESA-N |
c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3cc c(s3)Cl)N4C=CC=CC4=O; Clc1sc(cc1)C(=O)N[ CH]2CCC[CH]2NC(=O)c3ccc(cc3)N4C=CC=CC4=O ; Clc1sc(cc1)C(=O)N[C@@H]2CCC[C@@H]2NC(= O)c3ccc(cc3)N4C=CC=CC4=O; c1cc(ccc1C(=O) NC2CCCC2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O; O=C(NC3CCCC3NC(=O)c2ccc(N1C=CC=CC1=O)cc2 )c4sc(Cl)cc4 |
5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE |
| 33310 | ME6 ZINC000103549611 |
1 | C10 H17 N3 O7 P | InChI=1S/C10H16N3O7P/c1-1 2-8(11)2-3-13(10(12)15)9- 4-6(14)7(20-9)5-19-21(16, 17)18/h2-3,6-7,9,11,14H,4 -5H2,1H3,(H2,16,17,18)/p+ 1/t6-,7+,9+/m0/s1; SXDBYGVVLMSJDZ-LKEWCRSYSA-O |
C[N+]1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O )O)N; C[N+]1=C(N)C=CN([C@H]2C[C@H](O)[C@ @H](CO[P](O)(O)=O)O2)C1=O; C[N+]1=C(C=CN (C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O )O)N; C[N+]1=C(N)C=CN([CH]2C[CH](O)[CH]( CO[P](O)(O)=O)O2)C1=O |
[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
| 33311 | ME7 ZINC000004203455 |
11 | C10 H8 N2 O4 | InChI=1S/C10H8N2O4/c13-7- 1-2-8(14)11(7)5-6-12-9(15 )3-4-10(12)16/h1-4H,5-6H2; PUKLCKVOVCZYKF-UHFFFAOYSA-N |
O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O; O=C1C= CC(=O)N1CCN2C(=O)C=CC2=O; C1=CC(=O)N(C1= O)CCN2C(=O)C=CC2=O |
1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione) |
| 33312 | ME8 ZINC000013536715 |
5 | C15 H23 N6 O8 P S | InChI=1S/C15H23N6O8PS/c1- 31-3-2-7(16)15(24)29-30(2 5,26)27-4-8-10(22)11(23)1 4(28-8)21-6-20-9-12(17)18 -5-19-13(9)21/h5-8,10-11, 14,22-23H,2-4,16H2,1H3,(H ,25,26)(H2,17,18,19)/t7-, 8+,10+,11+,14+/m0/s1; RZQLXQQLNKBFRX-TWBCTODHSA-N |
CSCC[C@H](N)C(=O)O[P](O)(=O)OC[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CS CCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n cnc3N)O)O)N; CSCC[C@@H](C(=O)O[P@@](=O)( O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c 2ncnc3N)O)O)N; O=P(OC(=O)C(N)CCSC)(O)OCC 3OC(n2cnc1c(ncnc12)N)C(O)C3O; CSCC[CH](N )C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH ]1O)n2cnc3c(N)ncnc23 |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate; L-methionine-AMP; methionyl-adenylate |
| 33313 | ME9 CHEMBL567436 ZINC000001677060 |
4 | C12 H12 N2 O4 | InChI=1S/C12H12N2O4/c15-9 -3-4-10(16)13(9)7-1-2-8-1 4-11(17)5-6-12(14)18/h3-6 H,1-2,7-8H2; WXXSHAKLDCERGU-UHFFFAOYSA-N |
C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O; O=C1 C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione) |
| 33314 | MEA CHEMBL1234265 ZINC000008466416 |
0 | C10 H13 N O2 | InChI=1S/C10H13NO2/c1-11- 9(10(12)13)7-8-5-3-2-4-6- 8/h2-6,9,11H,7H2,1H3,(H,1 2,13)/t9-/m0/s1; SCIFESDRCALIIM-VIFPVBQESA-N |
CN[C@@H](Cc1ccccc1)C(=O)O; CNC(Cc1ccccc1 )C(=O)O; CN[CH](Cc1ccccc1)C(O)=O; CN[C@@ H](Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc 1 |
N-METHYLPHENYLALANINE |
| 33315 | MEB ZINC000059940055 |
15 | C4 H8 | InChI=1S/C4H8/c1-4(2)3/h1 H2,2-3H3; VQTUBCCKSQIDNK-UHFFFAOYSA-N |
CC(=C)C; CC(C)=C; C=C(\C)C | 2-methylprop-1-ene |
| 33316 | MEC DB03919 ZINC000002560077 |
0 | C4 H9 N O2 | InChI=1S/C4H9NO2/c1-3-5-4 (6)7-2/h3H2,1-2H3,(H,5,6); AEARPZNULDFPNQ-UHFFFAOYSA-N |
O=C(OC)NCC; CCNC(=O)OC | ETHYL-CARBAMIC ACID METHYL ESTER |
| 33317 | MED CHEMBL1234268 DB02893 ZINC000001532766 |
13 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-9-3 -2-4(6)5(7)8/h4H,2-3,6H2, 1H3,(H,7,8)/t4-/m1/s1; FFEARJCKVFRZRR-SCSAIBSYSA-N |
CSCC[CH](N)C(O)=O; CSCC[C@@H](N)C(O)=O; CSCC[C@H](C(=O)O)N; CSCCC(C(=O)O)N; O=C( O)C(N)CCSC |
D-METHIONINE |
| 33318 | MEE | 6 | C H4 S | InChI=1S/CH4S/c1-2/h2H,1H 3; LSDPWZHWYPCBBB-UHFFFAOYSA-N |
CS; SC | METHANETHIOL |
| 33319 | MEF CHEMBL1234270 DB12676 ZINC000004228243 |
5 | C20 H23 N7 O6 | InChI=1S/C20H23N7O6/c21-2 0-24-16-15(18(31)25-20)27 -9-26(8-12(27)7-22-16)11- 3-1-10(2-4-11)17(30)23-13 (19(32)33)5-6-14(28)29/h1 -4,12-13H,5-9H2,(H,23,30) (H,28,29)(H,32,33)(H4,21, 22,24,25,31)/t12-,13+/m1/ s1; QYNUQALWYRSVHF-OLZOCXBDSA-N |
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CN C4=C(N3C2)C(=O)NC(=N4)N; NC1=NC2=C(N3CN( C[C@H]3CN2)c4ccc(cc4)C(=O)N[C@@H](CCC(O) =O)C(O)=O)C(=O)N1; c1cc(ccc1C(=O)N[C@@H] (CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2 )C(=O)NC(=N4)N; NC1=NC2=C(N3CN(C[CH]3CN2 )c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)C( =O)N1; O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C= 2C(=O)NC(=NC=2NC3)N)C4)CCC(=O)O |
N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid; 5,10-methylene,5,6,7,8-tetrahydrofolate |
| 33320 | MEG CHEMBL38885 DB01898 ZINC000001672628 |
0 | C6 H11 N O4 | InChI=1S/C6H11NO4/c1-3(2- 4(8)9)5(7)6(10)11/h3,5H,2 ,7H2,1H3,(H,8,9)(H,10,11) /t3-,5-/m0/s1; FHJNAFIJPFGZRI-UCORVYFPSA-N |
C[CH](CC(O)=O)[CH](N)C(O)=O; CC(CC(=O)O) C(C(=O)O)N; C[C@@H](CC(=O)O)[C@@H](C(=O) O)N; O=C(O)C(N)C(CC(=O)O)C; C[C@@H](CC(O )=O)[C@H](N)C(O)=O |
(2S,3S)-2-azanyl-3-methyl-pentanedioic acid; (3S)-3-methyl-L-glutamic acid |
| 33321 | MEI DB08175 ZINC000002244163 |
1 | C16 H28 O3 | InChI=1S/C16H28O3/c1-13(1 0-7-11-16(3,4)19-5)8-6-9- 14(2)12-15(17)18/h6,9,12- 13H,7-8,10-11H2,1-5H3,(H, 17,18)/b9-6+,14-12+/t13-/ m1/s1; MNYBEULOKRVZKY-ATCPXPEISA-N |
C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\ C; CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C; COC (C)(C)CCC[C@H](C)C\C=C\C(C)=C\C(O)=O; CO C(C)(C)CCC[CH](C)CC=CC(C)=CC(O)=O; O=C(O )\C=C(\C=C\CC(CCCC(OC)(C)C)C)C |
(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID; METOPRENIC ACID |
| 33322 | MEJ CHEMBL3092537 ZINC000017322922 |
1 | C19 H19 N3 O2 | InChI=1S/C19H19N3O2/c1-13 (14-7-3-2-4-8-14)20-18(23 )12-11-17-21-16-10-6-5-9- 15(16)19(24)22-17/h2-10,1 3H,11-12H2,1H3,(H,20,23)( H,21,22,24)/t13-/m0/s1; QIHBWVVVRYYYRO-ZDUSSCGKSA-N |
C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(= O)N2; CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C( =O)N2; C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N 1)c3ccccc3; O=C(NC(c1ccccc1)C)CCC3=Nc2c( cccc2)C(=O)N3; C[CH](NC(=O)CCC1=Nc2ccccc 2C(=O)N1)c3ccccc3 |
3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide |
| 33323 | MEK CHEMBL464238 ZINC000039148487 |
1 | C18 H18 F3 I N2 O5 | InChI=1S/C18H18F3IN2O5/c1 9-13-8-11(22)1-2-14(13)23 -17-12(18(27)24-29-6-4-26 )7-10(9-28-5-3-25)15(20)1 6(17)21/h1-2,7-8,23,25-26 H,3-6,9H2,(H,24,27); PVBOBALIHWFPSS-UHFFFAOYSA-N |
c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O )NOCCO; OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I) cc2F)c(F)c1F; O=C(NOCCO)c1c(c(F)c(F)c(c1 )COCCO)Nc2ccc(I)cc2F |
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide |
| 33324 | MEL CHEMBL266349 DB13616 ZINC000003809827 |
3 | C22 H31 N5 O4 | InChI=1S/C22H31N5O4/c23-2 0(24)16-8-6-14(7-9-16)12- 26-21(30)17-10-11-27(17)2 2(31)19(25-13-18(28)29)15 -4-2-1-3-5-15/h6-9,15,17, 19,25H,1-5,10-13H2,(H3,23 ,24)(H,26,30)(H,28,29)/t1 7-,19+/m0/s1; DKWNMCUOEDMMIN-PKOBYXMFSA-N |
NC(=N)c1ccc(CNC(=O)[CH]2CCN2C(=O)[CH](NC C(O)=O)C3CCCCC3)cc1; O=C(NCc1ccc(C(=[N@H ])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3 ; c1cc(ccc1CNC(=O)C2CCN2C(=O)C(C3CCCCC3) NCC(=O)O)C(=N)N; c1cc(ccc1CNC(=O)[C@@H]2 CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N ; NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@ H](NCC(O)=O)C3CCCCC3)cc1 |
[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID; MELAGATRAN (ASTRA-ZENECA) |
| 33325 | MEM CHEMBL127 DB00760 ZINC000003808779 |
1 | C17 H25 N3 O5 S | InChI=1S/C17H25N3O5S/c1-7 -12-11(8(2)21)16(23)20(12 )13(17(24)25)14(7)26-9-5- 10(18-6-9)15(22)19(3)4/h7 -12,18,21H,5-6H2,1-4H3,(H ,24,25)/t7-,8-,9+,10+,11- ,12-/m1/s1; DMJNNHOOLUXYBV-PQTSNVLCSA-N |
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C) C(=O)O)C(C)O; C[CH](O)[CH]1[CH]2[CH](C)C (=C(N2C1=O)C(O)=O)S[CH]3CN[CH](C3)C(=O)N (C)C; O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(= O)C(C(O)C)C1C2C)C3; C[C@@H]1[C@@H]2[C@H] (C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C) C)C(=O)O)[C@@H](C)O; C[C@@H](O)[C@@H]1[C @H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)S[C@@H]3 CN[C@@H](C3)C(=O)N(C)C |
(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; Meropenem (closed form) |
| 33326 | MEN ZINC000001566730 |
2 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c1-7-4 (8)2-3(6)5(9)10/h3H,2,6H2 ,1H3,(H,7,8)(H,9,10)/t3-/ m0/s1; CFRMVEKWKKDNAH-VKHMYHEASA-N |
CNC(=O)C[C@H](N)C(O)=O; CNC(=O)C[C@@H](C (=O)O)N; CNC(=O)CC(C(=O)O)N; O=C(NC)CC(N )C(=O)O; CNC(=O)C[CH](N)C(O)=O |
N-METHYL ASPARAGINE |
| 33327 | MEO | 0 | O2 | ; |
O.O | OXYGENS BOUND TO MET SD |
| 33328 | MEP DB03249 |
0 | C12 H19 N2 O8 P | InChI=1/C12H19N2O8P/c1-6- 4-14(12(16)13-10(6)15)11- 9(20-3)7(2)8(22-11)5-21-2 3(17,18)19/h4,7-9,11H,5H2 ,1-3H3,(H,13,15,16)(H2,17 ,18,19)/t7-,8-,9-,11-/m1/ s1/f/h13,17-18H; MCXXETKRWYMFCI-VGJOWVILDN |
C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(= O)NC2=O)C)COP(=O)(O)O; O=C1NC(=O)N(C=C1C )C2OC(C(C2OC)C)COP(=O)(O)O; CC1C(OC(C1OC )N2C=C(C(=O)NC2=O)C)COP(=O)(O)O; CO[CH]1 [CH](C)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C) C(=O)NC2=O; CO[C@@H]1[C@H](C)[C@@H](CO[P ](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O |
PHOSPHORIC ACID MONO-[4-METHOXY-3-METHYL-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER |
| 33329 | MEQ DB03473 ZINC000001529600 |
3 | C6 H12 N2 O3 | InChI=1S/C6H12N2O3/c1-8-5 (9)3-2-4(7)6(10)11/h4H,2- 3,7H2,1H3,(H,8,9)(H,10,11 )/t4-/m0/s1; ONXPDKGXOOORHB-BYPYZUCNSA-N |
CNC(=O)CC[C@@H](C(=O)O)N; O=C(O)C(N)CCC( =O)NC; CNC(=O)CC[CH](N)C(O)=O; CNC(=O)CC C(C(=O)O)N; CNC(=O)CC[C@H](N)C(O)=O |
N5-METHYLGLUTAMINE |
| 33330 | MER ZINC000103547705 |
46 | C17 H27 N3 O5 S | InChI=1S/C17H27N3O5S/c1-8 -13(11(7-21)9(2)22)19-14( 17(24)25)15(8)26-10-5-12( 18-6-10)16(23)20(3)4/h7-1 3,18-19,22H,5-6H2,1-4H3,( H,24,25)/t8-,9-,10+,11-,1 2+,13-/m1/s1; DYQHXZPAIVAJRU-HTXLXMOSSA-N |
CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C (C=O)C(C)O; C[CH](O)[CH](C=O)[CH]1NC(=C( S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O ; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C@ @H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O) =O; O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C( N2)C(C=O)C(O)C)C; C[C@@H]1[C@@H](NC(=C1S [C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H] (C=O)[C@@H](C)O |
(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid; Meropenem, bound form |
| 33331 | MES CHEMBL1234276 DB03814 ZINC000001583444 |
0 | C6 H13 N O4 S | InChI=1S/C6H13NO4S/c8-12( 9,10)6-3-7-1-4-11-5-2-7/h 1-6H2,(H,8,9,10); SXGZJKUKBWWHRA-UHFFFAOYSA-N |
[O-][S](=O)(=O)CC[NH+]1CCOCC1; C1COCC[NH +]1CCS(=O)(=O)[O-]; [O-]S(=O)(=O)CC[NH+] 1CCOCC1 |
2-(N-MORPHOLINO)-ETHANESULFONIC ACID |
| 33332 | MET CHEMBL42336 DB00134 ZINC000001532529 |
338 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-9-3 -2-4(6)5(7)8/h4H,2-3,6H2, 1H3,(H,7,8)/t4-/m0/s1; FFEARJCKVFRZRR-BYPYZUCNSA-N |
CSCC[CH](N)C(O)=O; CSCCC(C(=O)O)N; CSCC[ C@H](N)C(O)=O; CSCC[C@@H](C(=O)O)N; O=C( O)C(N)CCSC |
METHIONINE |
| 33333 | MEU CHEMBL1193103 ZINC000034781692 |
2 | C3 H7 N O2 | InChI=1S/C3H7NO2/c1-6-3(5 )2-4/h2,4H2,1H3; KQSSATDQUYCRGS-UHFFFAOYSA-N |
COC(=O)CN; O=C(OC)CN | O-METHYL-GLYCINE |
| 33334 | MEV | 19 | C6 H11 O4 | InChI=1S/C6H12O4/c1-6(10, 2-3-7)4-5(8)9/h7,10H,2-4H 2,1H3,(H,8,9)/p-1/t6-/m1/ s1; KJTLQQUUPVSXIM-ZCFIWIBFSA-M |
CC(CCO)(CC(=O)[O-])O; C[C@@](O)(CCO)CC([ O-])=O; O=C([O-])CC(O)(C)CCO; C[C@@](CCO )(CC(=O)[O-])O; C[C](O)(CCO)CC([O-])=O |
(R)-MEVALONATE |
| 33335 | MEW CHEMBL395092 ZINC000008793749 |
7 | C9 H8 N2 O | InChI=1S/C9H8N2O/c1-6-10- 8-5-3-2-4-7(8)9(12)11-6/h 2-5H,1H3,(H,10,11,12); FIEYHAAMDAPVCH-UHFFFAOYSA-N |
CC1=Nc2ccccc2C(=O)N1; O=C1c2ccccc2N=C(N1 )C |
2-methylquinazolin-4(3H)-one |
| 33336 | MEX CHEMBL1802335 ZINC000072107392 |
1 | C13 H10 N2 O3 | InChI=1S/C13H10N2O3/c16-8 -5-6-11(12(17)7-8)15-10-4 -2-1-3-9(10)14-13(15)18/h 1-7,16-17H,(H,14,18); VCZFDVVMKKLXAN-UHFFFAOYSA-N |
c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O; Oc1ccc( N2C(=O)Nc3ccccc23)c(O)c1; O=C2Nc1ccccc1N 2c3ccc(O)cc3O |
1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one |
| 33337 | MEY CHEMBL1801578 ZINC000072108066 |
1 | C24 H18 Cl N3 O5 S | InChI=1S/C24H18ClN3O5S/c2 5-17-11-20(22(30)12-21(17 )29)28-19-9-8-14(10-18(19 )27-24(28)31)13-26-34(32, 33)23-7-3-5-15-4-1-2-6-16 (15)23/h1-12,26,29-30H,13 H2,(H,27,31); VUQDPFXQYOUHGL-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC (=O)N4c5cc(c(cc5O)O)Cl; O=S(=O)(c2c1cccc c1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c( O)cc5O; Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[ S](=O)(=O)c4cccc5ccccc45)ccc23 |
N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide |
| 33338 | MEZ ZINC000004501410 |
10 | C5 H6 O4 | InChI=1S/C5H6O4/c1-3(5(8) 9)2-4(6)7/h2H,1H3,(H,6,7) (H,8,9)/b3-2+; HNEGQIOMVPPMNR-NSCUHMNNSA-N |
CC(=CC(=O)O)C(=O)O; O=C(O)\C=C(\C(=O)O)C ; CC(=C\C(O)=O)/C(O)=O; CC(=CC(O)=O)C(O) =O; C/C(=C\C(=O)O)/C(=O)O |
(2E)-2-METHYLBUT-2-ENEDIOIC ACID; MESACONIC ACID; MESACONATE |
| 33339 | MF0 | 1 | C14 H14 Cl N3 O | InChI=1S/C14H14ClN3O/c1-9 -3-4-16-8-13(9)18-14(19)1 0(2)11-5-12(15)7-17-6-11/ h3-8,10H,1-2H3,(H,18,19)/ t10-/m1/s1; SEFKQYGCOOMXHK-SNVBAGLBSA-N |
Cc1ccncc1NC(=O)[C@H](C)c2cc(cnc2)Cl; Cc1 ccncc1NC(=O)C(C)c2cc(cnc2)Cl; C[C@@H](C( =O)Nc1cnccc1C)c2cncc(Cl)c2; C[CH](C(=O)N c1cnccc1C)c2cncc(Cl)c2; O=C(Nc1cnccc1C)C (C)c1cc(Cl)cnc1 |
(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide |
| 33340 | MF1 | 1 | C29 H47 O4 P | InChI=1S/C29H47O4P/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-15-16-19-25-33-29(34(3 0,31)32)28-24-20-22-26-21 -17-18-23-27(26)28/h17-18 ,20-24,29H,2-16,19,25H2,1 H3,(H2,30,31,32)/t29-/m0/ s1; IIAOXWLLPSQBBO-LJAQVGFWSA-N |
CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2) P(=O)(O)O; CCCCCCCCCCCCCCCCCCOC(P(O)(O)= O)c1cccc2c1cccc2; CCCCCCCCCCCCCCCCCCOC(c 1cccc2c1cccc2)P(=O)(O)O; CCCCCCCCCCCCCCC CCCO[C@H](c1cccc2ccccc12)[P](O)(O)=O; CC CCCCCCCCCCCCCCCCO[CH](c1cccc2ccccc12)[P] (O)(O)=O |
[(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid |
| 33341 | MF2 DB04021 ZINC000012504100 |
1 | C15 H30 N2 O2 | InChI=1S/C15H30N2O2/c1-14 -11-17(12-15(2)19-14)10-8 -6-4-3-5-7-9-16-13-18/h13 -15H,3-12H2,1-2H3,(H,16,1 8)/t14-,15+; UXVBAZRPAJEAHR-GASCZTMLSA-N |
O=CNCCCCCCCCN1CC(OC(C)C1)C; CC1CN(CC(O1) C)CCCCCCCCNC=O; C[C@@H]1CN(CCCCCCCCNC=O) C[C@H](C)O1; C[C@@H]1CN(C[C@@H](O1)C)CCC CCCCCNC=O; C[CH]1CN(CCCCCCCCNC=O)C[CH](C )O1 |
CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE; MF268 |
| 33342 | MF3 DB03799 ZINC000001698833 |
2 | C5 H8 F3 N O2 S | InChI=1S/C5H8F3NO2S/c6-5( 7,8)12-2-1-3(9)4(10)11/h3 H,1-2,9H2,(H,10,11)/t3-/m 0/s1; YLJLTSVBCXYTQK-VKHMYHEASA-N |
C(CSC(F)(F)F)[C@@H](C(=O)O)N; C(CSC(F)(F )F)C(C(=O)O)N; FC(F)(F)SCCC(N)C(=O)O; N[ CH](CCSC(F)(F)F)C(O)=O; N[C@@H](CCSC(F)( F)F)C(O)=O |
2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID; TRIFLUOROMETHIONINE |
| 33343 | MF4 | 43 | F4 Mg | InChI=1S/4FH.Mg/h4*1H;/q; ;;;+2/p-4; XVYWAXYEHHUKQW-UHFFFAOYSA-J |
F[Mg--](F)(F)F; F[Mg-2](F)(F)F | TETRAFLUOROMAGNESATE(2-); MAGNESIUMTETRAFLUORIDE |
| 33344 | MF5 ZINC000095920605 |
1 | C14 H10 F5 N2 O | InChI=1S/C14H10F5N2O/c1-2 1-5-3-2-4-8(21)6-20-22-7- 9-10(15)12(17)14(19)13(18 )11(9)16/h2-6H,7H2,1H3/q+ 1/b20-6+; HYLZTSPDSFFOSU-CGOBSMCZSA-N |
C[n+]1ccccc1C=NOCc2c(c(c(c(c2F)F)F)F)F; C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F ; C[n+]1ccccc1C=NOCc2c(F)c(F)c(F)c(F)c2F ; Fc1c(F)c(F)c(F)c(F)c1CO\N=C\c2[n+](ccc c2)C; C[n+]1ccccc1/C=N/OCc2c(F)c(F)c(F)c (F)c2F |
1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine; methyl2-(pentafluorobenzyloxyimino)pyridinium |
| 33345 | MF6 | 13 | C15 H21 N5 O13 P2 | InChI=1S/C15H21N5O13P2/c1 6-12-7-13(18-3-17-12)20(4 -19-7)14-11-9(22)6(30-14) 2-29-35(26,27)33-34(24,25 )28-1-5-8(21)10(23)15(31- 5)32-11/h3-6,8-11,14-15,2 1-23H,1-2H2,(H,24,25)(H,2 6,27)(H2,16,17,18)/t5-,6- ,8-,9-,10-,11-,14-,15+/m1 /s1; FWMYLCHFFTZWAN-ZQSHOCFMSA-N |
c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(OP( =O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N; Nc1ncnc 2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[P](O)( =O)OC[CH]5O[CH](O[CH]3[CH]4O)[CH](O)[CH] 5O; Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)( O)OCC3OC(OC1C2O)C(O)C3O; c1nc(c2c(n1)n(c n2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O P(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)O4) O)O)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@ @H]4CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@@ H](O[C@@H]3[C@@H]4O)[C@H](O)[C@@H]5O |
(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione; 1'-2' gcADPR |
| 33346 | MF7 ZINC000263621238 |
0 | C11 H18 N5 O8 P | InChI=1S/C11H18N5O8P/c1-1 6(4-17)8-9(14-11(12)15-10 (8)19)13-7-2-5(18)6(24-7) 3-23-25(20,21)22/h4-7,18H ,2-3H2,1H3,(H2,20,21,22)( H4,12,13,14,15,19)/t5-,6+ ,7+/m0/s1; XUOKFUXZTMGJBY-RRKCRQDMSA-N |
O=CN(c1c(nc(nc1O)N)NC2OC(C(O)C2)COP(=O)( O)O)C; CN(C=O)c1c(O)nc(N)nc1N[CH]2C[CH]( O)[CH](CO[P](O)(O)=O)O2; CN(C=O)c1c(O)nc (N)nc1N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O) =O)O2; CN(C=O)c1c(nc(nc1O)N)NC2CC(C(O2)C OP(=O)(O)O)O; CN(C=O)c1c(nc(nc1O)N)N[C@H ]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
| 33347 | MF8 CHEMBL1431 DB00331 ZINC000012859773 |
10 | C4 H11 N5 | InChI=1S/C4H11N5/c1-9(2)4 (7)8-3(5)6/h1-2H3,(H5,5,6 ,7,8); XZWYZXLIPXDOLR-UHFFFAOYSA-N |
CN(C)C(=N)NC(=N)N; [H]/N=C(/N)\N/C(=N\[H ])/N(C)C; CN(C)C(=N)NC(N)=N |
Metformin; N,N-Dimethylimidodicarbonimidic diamide |
| 33348 | MF9 ZINC000005211284 |
1 | C10 H11 Cl O2 S | InChI=1S/C10H11ClO2S/c1-7 (6-10(12)13)14-9-4-2-8(11 )3-5-9/h2-5,7H,6H2,1H3,(H ,12,13)/t7-/m0/s1; DSCJEDOCSCNYAI-ZETCQYMHSA-N |
C[C@@H](CC(O)=O)Sc1ccc(Cl)cc1; C[CH](CC( O)=O)Sc1ccc(Cl)cc1; Clc1ccc(SC(C)CC(=O)O )cc1; CC(CC(=O)O)Sc1ccc(cc1)Cl; C[C@@H]( CC(=O)O)Sc1ccc(cc1)Cl |
(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid |
| 33349 | MFA CHEMBL1234282 DB03879 |
0 | C7 H14 O5 | InChI=1/C7H14O5/c1-3-4(8) 5(9)6(10)7(11-2)12-3/h3-1 0H,1-2H3/t3-,4+,5+,6-,7+/ m0/s1; OHWCAVRRXKJCRB-CXNFULCWBA |
CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@H]([C@ H]([C@@H]([C@@H](O1)OC)O)O)O; OC1C(O)C(O )C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O )[CH]1O; CO[C@@H]1O[C@@H](C)[C@@H](O)[C@ @H](O)[C@@H]1O |
ALPHA-L-1-METHYL-FUCOSE |
| 33350 | MFB CHEMBL1234283 DB03194 ZINC000004283898 |
17 | C7 H14 O5 | InChI=1S/C7H14O5/c1-3-4(8 )5(9)6(10)7(11-2)12-3/h3- 10H,1-2H3/t3-,4+,5+,6-,7- /m0/s1; OHWCAVRRXKJCRB-XUVCUMPTSA-N |
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O) O)O; CC1C(C(C(C(O1)OC)O)O)O; OC1C(O)C(O) C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O) [CH]1O; CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H ](O)[C@@H]1O |
methyl beta-L-fucopyranoside; BETA-L-METHYL-FUCOSE; methyl 6-deoxy-beta-L-galactopyranoside; methyl beta-L-fucoside; methyl L-fucoside; methyl fucoside |
| 33351 | MFC ZINC000058638366 |
0 | C15 H16 F N3 O5 | InChI=1S/C15H16FN3O5/c1-7 (20)13(17)14-18-10(15(24) 19(14)6-12(22)23)5-8-2-3- 11(21)9(16)4-8/h2-5,7,13, 20-21H,6,17H2,1H3,(H,22,2 3)/b10-5-/t7-,13+/m1/s1; QLZXNQSTTQYOCH-QHUHAOFSSA-N |
C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/ C(=O)N1CC(=O)O)N)O; C[CH](O)[CH](N)C1=NC (=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O; C[C@@H ](O)[C@H](N)C1=N\C(=C/c2ccc(O)c(F)c2)C(= O)N1CC(O)=O; CC(C(C1=NC(=Cc2ccc(c(c2)F)O )C(=O)N1CC(=O)O)N)O; Fc1c(O)ccc(c1)\C=C2 /N=C(N(C2=O)CC(=O)O)C(N)C(O)C |
5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE |
| 33352 | MFD DB01850 |
0 | C20 H29 N O3 | InChI=1S/C20H29NO3/c1-14( 10-11-18(21)16(3)20(22)23 )12-15(2)19(24-4)13-17-8- 6-5-7-9-17/h5-12,15-16,18 -19H,13,21H2,1-4H3,(H,22, 23)/b11-10+,14-12+/t15-,1 6+,18+,19-/m1/s1; HJVCHYDYCYBBQX-AWKNMOFVSA-N |
CO[C@H](Cc1ccccc1)[C@H](C)\C=C(C)\C=C\[C @H](N)[C@H](C)C(O)=O; O=C(O)C(C)C(N)/C=C /C(=C/C(C(OC)Cc1ccccc1)C)C; CO[CH](Cc1cc ccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)= O; CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc 1)OC; C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C )C(=O)O)N)[C@@H](Cc1ccccc1)OC |
(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID |
| 33353 | MFE CHEMBL117554 ZINC000013476433 |
1 | C15 H12 Cl N3 | InChI=1S/C15H12ClN3/c16-1 2-7-5-11(6-8-12)9-17-15-1 3-3-1-2-4-14(13)18-10-19- 15/h1-8,10H,9H2,(H,17,18, 19); BTRLSAYDVSPYCS-UHFFFAOYSA-N |
c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl; Clc1cc c(CNc2ncnc3ccccc23)cc1 |
~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
| 33354 | MFF | 1 | C29 H48 N2 O5 | InChI=1S/C29H48N2O5/c1-7- 9-27-22(5)26(33)18-28(36- 27)25(31)11-8-10-19(2)14- 21(4)15-20(3)12-13-24(32) 16-23(30)17-29(34)35-6/h7 -13,15,21-28,32-33H,14,16 -18,30-31H2,1-6H3/b9-7+,1 1-8+,13-12+,19-10+,20-15- /t21-,22+,23+,24+,25+,26- ,27+,28+/m1/s1; PLLUXUKFSITXBR-MOCDELMQSA-N |
COC(=O)C[C@@H](N)C[C@@H](O)\C=C\C(C)=C/[ C@H](C)CC(/C)=C/C=C/[C@H](N)[C@@H]1C[C@@ H](O)[C@H](C)[C@@H](O1)/C=C/C; CC=CC1C(C (CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC( =O)OC)N)O)N)O)C; COC(=O)C[CH](N)C[CH](O) C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[ CH](O)[CH](C)[CH](O1)C=CC; C/C=C/[C@H]1[ C@H]([C@@H](C[C@H](O1)[C@H](/C=C/C=C(\C) /C[C@@H](C)/C=C(/C)\C=C\[C@@H](C[C@@H](C C(=O)OC)N)O)N)O)C |
methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
| 33355 | MFG DB08176 |
2 | C11 H12 F N | InChI=1S/C11H12FN/c1-9(8- 13)2-3-10-4-6-11(12)7-5-1 0/h4-8,13H,1-3H2/b13-8+; CFVUPEQWSFCCFT-MDWZMJQESA-N |
Fc1ccc(cc1)CCC(=C)/C=[N@H]; [H]N=CC(=C)C Cc1ccc(cc1)F; Fc1ccc(CCC(=C)C=N)cc1; [H] /N=C/C(=C)CCc1ccc(cc1)F |
(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE |
| 33356 | MFH | 0 | C10 H14 N2 O3 | InChI=1S/C10H14N2O3/c11-8 (6-12-10(14)15)5-7-1-3-9( 13)4-2-7/h1-4,8,12-13H,5- 6,11H2,(H,14,15)/t8-/m0/s 1; MAFLUNGZGRQAEK-QMMMGPOBSA-N |
c1cc(ccc1C[C@@H](CNC(=O)O)N)O; N[CH](CNC (O)=O)Cc1ccc(O)cc1; c1cc(ccc1CC(CNC(=O)O )N)O; N[C@H](CNC(O)=O)Cc1ccc(O)cc1 |
[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid |
| 33357 | MFJ | 1 | C23 H29 O4 P | InChI=1S/C23H29O4P/c1-2-3 -4-5-6-7-8-9-10-13-19-27- 23(28(24,25)26)22-18-14-1 6-20-15-11-12-17-21(20)22 /h4-5,8-18,23H,2-3,6-7,19 H2,1H3,(H2,24,25,26)/b5-4 -,9-8-,13-10+/t23-/m1/s1; NQBCLJOVYMZXNE-MNTXUOLASA-N |
CCCC=CCCC=CC=CCOC(c1cccc2c1cccc2)P(=O)(O )O; CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c 1cccc2)P(=O)(O)O; CCCC=CCCC=CC=CCO[CH](c 1cccc2ccccc12)[P](O)(O)=O; CCC\C=C/CC\C= C/C=C/CO[C@@H](c1cccc2ccccc12)[P](O)(O)= O; c1ccc2c(cccc2c1)C(OCC=[C@H]/C=C\CC/C= C\CCC)P(=O)(O)O |
[(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid |
| 33358 | MFK ZINC000096014554 |
22 | C31 H54 N7 O17 P3 S | InChI=1S/C31H54N7O17P3S/c 1-4-5-6-7-8-9-10-11-22(40 )59-15-14-33-21(39)12-13- 34-29(43)26(42)31(2,3)17- 52-58(49,50)55-57(47,48)5 1-16-20-25(54-56(44,45)46 )24(41)30(53-20)38-19-37- 23-27(32)35-18-36-28(23)3 8/h18-20,24-26,30,41-42H, 4-17H2,1-3H3,(H,33,39)(H, 34,43)(H,47,48)(H,49,50)( H2,32,35,36)(H2,44,45,46) /t20-,24-,25-,26+,30-/m1/ s1; CNKJPHSEFDPYDB-HSJNEKGZSA-N |
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C( C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([ C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O )O)O; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@ H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@ H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2 cnc3c(N)ncnc23; CCCCCCCCCC(=O)SCCNC(=O)C CNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O) (=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)= O)n2cnc3c(N)ncnc23; O=C(SCCNC(=O)CCNC(=O )C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2 cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC C; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C) (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)O |
decanoyl-CoA |
| 33359 | MFL | 2 | C25 H37 N5 O7 | InChI=1S/C25H37N5O7/c1-25 (2,3)37-24(36)29-16-6-5-1 1-30(23(16)35)18(12-14-7- 8-14)21(33)28-17(19(31)22 (34)26-4)13-15-9-10-27-20 (15)32/h5-6,11,14-15,17-1 9,31H,7-10,12-13H2,1-4H3, (H,26,34)(H,27,32)(H,28,3 3)(H,29,36)/t15-,17-,18-, 19+/m0/s1; GYAZATSRBWQIIG-DSLXNQLJSA-N |
CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[ CH](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)C)C3=O ; CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2) C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O; CC(C)(C) OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O) N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NC)O; CNC(=O)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC (=O)[C@H](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C) C)C3=O |
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate; tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(methylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate; MG-100 inhibitor (covalently bound to protein) |
| 33360 | MFM CHEMBL593602 DB08177 ZINC000002240008 |
2 | C17 H12 Cl N O4 S2 | InChI=1S/C17H12ClNO4S2/c1 8-11-3-1-10(2-4-11)13-6-5 -12(23-13)9-14-16(22)19(1 7(24)25-14)8-7-15(20)21/h 1-6,9H,7-8H2,(H,20,21)/b1 4-9+; YZLFZFALAZYTCI-NTEUORMPSA-N |
OC(=O)CCN1C(=S)SC(=C/c2oc(cc2)c3ccc(Cl)c c3)/C1=O; c1cc(ccc1c2ccc(o2)/C=C/3\C(=O) N(C(=S)S3)CCC(=O)O)Cl; c1cc(ccc1c2ccc(o2 )C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl; OC(=O)C CN1C(=S)SC(=Cc2oc(cc2)c3ccc(Cl)cc3)C1=O; S=C1S/C(C(=O)N1CCC(=O)O)=C/c3oc(c2ccc(C l)cc2)cc3 |
(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID |
| 33361 | MFN | 23 | C35 H44 N4 O16 | InChI=1S/C35H44N4O16/c40- 19-36-16-23-15-21(18-55-2 3)17-54-22-3-1-20(2-4-22) 13-14-37-28(41)10-7-26(34 (50)51)39-30(43)11-8-27(3 5(52)53)38-29(42)9-5-24(3 2(46)47)25(33(48)49)6-12- 31(44)45/h1-4,15,18-19,24 -27H,5-14,16-17H2,(H,36,4 0)(H,37,41)(H,38,42)(H,39 ,43)(H,44,45)(H,46,47)(H, 48,49)(H,50,51)(H,52,53)/ t24?,25?,26-,27+/m1/s1; RGBIJPWAWLXPOC-XRVZLLLRSA-N |
O=C(O)C(CCC(=O)O)C(C(=O)O)CCC(=O)NC(C(=O )O)CCC(=O)NC(C(=O)O)CCC(=O)NCCc2ccc(OCc1 cc(oc1)CNC=O)cc2; c1cc(ccc1CCNC(=O)CCC(C (=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(CCC(= O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O; c1cc (ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@ H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C (=O)O)C(=O)O)OCc2cc(oc2)CNC=O; OC(=O)CCC ([CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)N CCc1ccc(OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O) =O)C(O)=O)C(O)=O; OC(=O)CCC([C@@H](CCC(= O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCc1ccc( OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)=O)C(O)= O)C(O)=O |
N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE |
| 33362 | MFO ZINC000584905623 |
0 | C22 H23 N6 O8 P | InChI=1S/C22H23N6O8P/c1-1 1(29)27(14-7-6-12-4-2-3-5 -13(12)8-14)22-24-18-19(2 5-21(23)26-20(18)31)28(22 )17-9-15(30)16(36-17)10-3 5-37(32,33)34/h2-8,15-17, 30H,9-10H2,1H3,(H2,32,33, 34)(H3,23,25,26,31)/t15-, 16+,17+/m0/s1; AEEKNUIQRYLODW-GVDBMIGSSA-N |
CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3C5CC(C(O 5)COP(=O)(O)O)O)NC(=NC4=O)N; CC(=O)N(c1c cc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[C@H]5C [C@H](O)[C@@H](CO[P](O)(O)=O)O5; CC(=O)N (c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH ]5C[CH](O)[CH](CO[P](O)(O)=O)O5; CC(=O)N (c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([ C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N |
[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 33363 | MFP ZINC000001487879 |
1 | C24 H27 Br N6 O2 | InChI=1S/C24H27BrN6O2/c1- 17-4-9-22(21(25)12-17)31( 11-10-26)24-13-23(27-16-2 8-24)29-18-5-7-20(8-6-18) 33-15-19(32)14-30(2)3/h4- 9,12-13,16,19,32H,11,14-1 5H2,1-3H3,(H,27,28,29)/t1 9-/m1/s1; UUISESFNPSRBFN-LJQANCHMSA-N |
CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N )c3ccc(C)cc3Br)cc1; Cc1ccc(c(c1)Br)N(CC# N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O; CN( C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc c(C)cc3Br)cc1; Cc1ccc(c(c1)Br)N(CC#N)c2c c(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O; Brc 1cc(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2 )c3)CC#N)C |
((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE |
| 33364 | MFQ ZINC000003581437 |
1 | C24 H27 Br N6 O2 | InChI=1S/C24H27BrN6O2/c1- 17-4-9-22(21(25)12-17)31( 11-10-26)24-13-23(27-16-2 8-24)29-18-5-7-20(8-6-18) 33-15-19(32)14-30(2)3/h4- 9,12-13,16,19,32H,11,14-1 5H2,1-3H3,(H,27,28,29)/t1 9-/m0/s1; UUISESFNPSRBFN-IBGZPJMESA-N |
Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(c c3)OC[C@H](CN(C)C)O; CN(C)C[C@H](O)COc1c cc(Nc2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1; Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(c c3)OCC(CN(C)C)O; CN(C)C[CH](O)COc1ccc(Nc 2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1; Brc1c c(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c 3)CC#N)C |
((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE |
| 33365 | MFR CHEMBL270686 DB08178 ZINC000016052675 |
4 | C12 H11 N5 O | InChI=1S/C12H11N5O/c1-18- 9-3-5-14-11-10(9)7(6-16-1 1)8-2-4-15-12(13)17-8/h2- 6H,1H3,(H,14,16)(H2,13,15 ,17); GGEWEQJWGGJUHO-UHFFFAOYSA-N |
COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N; COc1ccn c2[nH]cc(c3ccnc(N)n3)c12; n1ccc(OC)c2c1n cc2c3nc(ncc3)N |
4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| 33366 | MFT ZINC000058638554 |
0 | C11 H17 N2 O8 P | InChI=1S/C11H17N2O8P/c1-6 -4-13(11(16)12(2)10(6)15) 9-3-7(14)8(21-9)5-20-22(1 7,18)19/h4,7-9,14H,3,5H2, 1-2H3,(H2,17,18,19)/t7-,8 +,9+/m0/s1; NTZJWSXYZFTRBM-DJLDLDEBSA-N |
CN1C(=O)N(C=C(C)C1=O)[C@H]2C[C@H](O)[C@@ H](CO[P](O)(O)=O)O2; CN1C(=O)N(C=C(C)C1= O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2; CC 1=CN(C(=O)N(C1=O)C)C2CC(C(O2)COP(=O)(O)O )O; CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([ C@H](O2)COP(=O)(O)O)O; O=P(O)(O)OCC2OC(N 1C(=O)N(C(=O)C(=C1)C)C)CC2O |
3-methylthymidine 5'-(dihydrogen phosphate) |
| 33367 | MFU CHEMBL1234282 DB03879 ZINC000002509839 |
227 | C7 H14 O5 | InChI=1S/C7H14O5/c1-3-4(8 )5(9)6(10)7(11-2)12-3/h3- 10H,1-2H3/t3-,4+,5+,6-,7+ /m0/s1; OHWCAVRRXKJCRB-CXNFULCWSA-N |
CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@H]([C@ H]([C@@H]([C@@H](O1)OC)O)O)O; OC1C(O)C(O )C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O )[CH]1O; CO[C@@H]1O[C@@H](C)[C@@H](O)[C@ @H](O)[C@@H]1O |
methyl alpha-L-fucopyranoside; ALPHA-L-METHYL-FUCOSE; methyl 6-deoxy-alpha-L-galactopyranoside; methyl alpha-L-fucoside; methyl L-fucoside; methyl fucoside |
| 33368 | MFV | 0 | C16 H19 N3 O5 | InChI=1S/C16H19N3O5/c1-8- 5-10(3-4-12(8)21)6-11-16( 24)19(7-13(22)23)15(18-11 )14(17)9(2)20/h3-6,9,14,2 0-21H,7,17H2,1-2H3,(H,22, 23)/b11-6-/t9-,14+/m1/s1; ZMLILWZLIXQOMW-WOKDAPTFSA-N |
C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(C)c2)C( =O)N1CC(O)=O; Cc1cc(ccc1O)C=C2C(=O)N(C(= N2)C(C(C)O)N)CC(=O)O; C[C@@H](O)[C@H](N) C1=N\C(=C/c2ccc(O)c(C)c2)C(=O)N1CC(O)=O; NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=C\c2cc( C)c(cc2)O; Cc1cc(ccc1O)/C=C\2/C(=O)N(C(= N2)[C@H]([C@@H](C)O)N)CC(=O)O |
{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 33369 | MFW CHEMBL18620 ZINC000000895304 |
2 | C5 H8 O | InChI=1S/C5H8O/c6-5-3-1-2 -4-5/h1-4H2; BGTOWKSIORTVQH-UHFFFAOYSA-N |
C1CCC(=O)C1; O=C1CCCC1 | cyclopentanone |
| 33370 | MFX CHEMBL32 DB00218 ZINC000003826253 |
7 | C21 H24 F N3 O4 | InChI=1S/C21H24FN3O4/c1-2 9-20-17-13(19(26)14(21(27 )28)9-25(17)12-4-5-12)7-1 5(22)18(20)24-8-11-3-2-6- 23-16(11)10-24/h7,9,11-12 ,16,23H,2-6,8,10H2,1H3,(H ,27,28)/t11-,16+/m0/s1; FABPRXSRWADJSP-MEDUHNTESA-N |
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(= O)C(=CN(C5CC5)c14)C(O)=O; COc1c(N2C[CH]3 CCCN[CH]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14) C(O)=O; Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c 2N4CC3CCCNC3C4)C5CC5; COc1c2c(cc(c1N3CC4 CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O; COc1 c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O) C(=CN2C5CC5)C(=O)O |
1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; moxifloxacin |
| 33371 | MFY ZINC000083381965 |
1 | C9 H12 Cl N O3 S | InChI=1S/C9H12ClNO3S/c10- 9-3-1-8(2-4-9)7-11-5-6-15 (12,13)14/h1-4,11H,5-7H2, (H,12,13,14); LPASPBAPDABFEL-UHFFFAOYSA-N |
O[S](=O)(=O)CCNCc1ccc(Cl)cc1; Clc1ccc(cc 1)CNCCS(=O)(=O)O; c1cc(ccc1CNCCS(=O)(=O) O)Cl |
2-[(4-chlorobenzyl)amino]ethanesulfonic acid |
| 33372 | MFZ ZINC000263621124 |
2 | C11 H7 Cl2 N O | InChI=1S/C11H7Cl2NO/c12-8 -3-4-9(13)11-10(8)7(6-14- 11)2-1-5-15/h3-4,6,14-15H ,5H2; VIZAOCOKGQUJRZ-UHFFFAOYSA-N |
c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl; OCC#Cc1 c[nH]c2c(Cl)ccc(Cl)c12 |
3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol |
| 33373 | MG DB01378 |
57946 | Mg | InChI=1S/Mg/q+2; JLVVSXFLKOJNIY-UHFFFAOYSA-N |
[Mg+2]; [Mg++] | MAGNESIUM ION |
| 33374 | MG0 CHEMBL3114000 ZINC000098209174 |
2 | C18 H18 F6 N4 O3 S | InChI=1S/C18H18F6N4O3S/c1 9-17(20,21)16(29,18(22,23 )24)12-1-3-13(4-2-12)27-7 -9-28(10-8-27)32(30,31)14 -5-6-15(25)26-11-14/h1-6, 11,29H,7-10H2,(H2,25,26); KSFOBWMWXKUTRU-UHFFFAOYSA-N |
c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC 2)S(=O)(=O)c3ccc(nc3)N; Nc1ccc(cn1)[S](= O)(=O)N2CCN(CC2)c3ccc(cc3)C(O)(C(F)(F)F) C(F)(F)F; O=S(=O)(c1ccc(nc1)N)N3CCN(c2cc c(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 |
2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol; AMG-5980 |
| 33375 | MG1 ZINC000058638555 |
0 | C11 H16 N5 O7 P | InChI=1S/C11H16N5O7P/c1-1 5-10(18)8-9(14-11(15)12)1 6(4-13-8)7-2-5(17)6(23-7) 3-22-24(19,20)21/h4-7,17H ,2-3H2,1H3,(H2,12,14)(H2, 19,20,21)/t5-,6+,7+/m0/s1; GQIQEQNQLGRCMV-RRKCRQDMSA-N |
CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3 )COP(=O)(O)O)O)N=C1N; CN1C(=Nc2n(cnc2C1= O)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 )N; O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)CO P(=O)(O)O; CN1C(=O)c2c(n(cn2)C3CC(C(O3)C OP(=O)(O)O)O)N=C1N; CN1C(=Nc2n(cnc2C1=O) [CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N |
2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) |
| 33376 | MG2 | 1 | C16 H18 F3 N3 O3 S | InChI=1S/C16H18F3N3O3S/c1 7-16(18,19)11-3-1-2-4-13( 11)26(24,25)10-7-12(21-8- 10)14(23)22-15(9-20)5-6-1 5/h1-4,9-10,12,20-21H,5-8 H2,(H,22,23)/b20-9+/t10-, 12+/m1/s1; WIKZXNNJWQPKLI-FGAGOUGJSA-N |
[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S (=O)(=O)c3ccccc3C(F)(F)F; FC(F)(F)c1cccc c1[S](=O)(=O)[C@H]2CN[C@@H](C2)C(=O)NC3( CC3)C=N; c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C2 CC(NC2)C(=O)NC3(CC3)C=N; FC(F)(F)c1ccccc 1[S](=O)(=O)[CH]2CN[CH](C2)C(=O)NC3(CC3) C=N; O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O) c2ccccc2C(F)(F)F)C3 |
(2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide |
| 33377 | MG3 | 2 | C36 H44 Cl2 N8 O3 S | InChI=1S/C36H44Cl2N8O3S/c 1-46-31(18-23-20-42-28-10 -3-2-9-24(23)28)34(48)44- 21-25-26(37)13-14-27(38)3 2(25)50-35-22(8-7-17-41-3 5)19-43-29(12-6-16-40)33( 47)45-30(36(46)49)11-4-5- 15-39/h2-3,7-10,13-14,17, 20,29-31,42-43H,4-6,11-12 ,15-16,18-19,21,39-40H2,1 H3,(H,44,48)(H,45,47)/t29 -,30-,31-/m0/s1; GBONSZKSVKTWGU-CHQNGUEUSA-N |
CN1C(C(=O)NCc2c(ccc(c2Sc3c(cccn3)CNC(C(= O)NC(C1=O)CCCCN)CCCN)Cl)Cl)Cc4c[nH]c5c4c ccc5; Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4cc ccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc 3Sc12)CCCN; CN1[C@H](C(=O)NCc2c(ccc(c2Sc 3c(cccn3)CN[C@H](C(=O)N[C@H](C1=O)CCCCN) CCCN)Cl)Cl)Cc4c[nH]c5c4cccc5; CN1[C@@H]( Cc2c[nH]c3ccccc23)C(=O)NCc4c(Cl)ccc(Cl)c 4Sc5ncccc5CN[C@@H](CCCN)C(=O)N[C@@H](CCC CN)C1=O; CN1[CH](Cc2c[nH]c3ccccc23)C(=O) NCc4c(Cl)ccc(Cl)c4Sc5ncccc5CN[CH](CCCN)C (=O)N[CH](CCCCN)C1=O |
(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
| 33378 | MG5 ZINC000098209175 |
1 | C15 H25 N O11 S | InChI=1S/C15H25NO11S/c1-4 -9(17)25-12-8(7-23-28(16, 21)22)24-15(20)14(27-11(1 9)6-3)13(12)26-10(18)5-2/ h8,12-15,20H,4-7H2,1-3H3, (H2,16,21,22)/t8-,12-,13+ ,14-,15-/m1/s1; TUQHVAPJYYJQSN-VIPIRZDLSA-N |
CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O )[CH](OC(=O)CC)[CH]1OC(=O)CC; CCC(=O)O[C @H]1[C@H](O)O[C@H](CO[S](N)(=O)=O)[C@@H] (OC(=O)CC)[C@@H]1OC(=O)CC; CCC(=O)OC1C(O C(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N; CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H] 1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N; O=S(= O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(= O)CC)N |
2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose |
| 33379 | MG7 CHEMBL1234293 DB03493 ZINC000018130229 |
7 | C11 H16 N5 O5 | InChI=1S/C11H15N5O5/c1-15 -3-16(8-5(15)9(20)14-11(1 2)13-8)10-7(19)6(18)4(2-1 7)21-10/h3-4,6-7,10,17-19 H,2H2,1H3,(H2-,12,13,14,2 0)/p+1/t4-,6-,7-,10-/m1/s 1; OGHAROSJZRTIOK-KQYNXXCUSA-O |
C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N =C(N)NC(=O)c13; C[n+]1cn([C@@H]2O[C@H](C O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13; C[ n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C @@H]([C@H](O3)CO)O)O; O=C1c2[n+](cn(c2N= C(N)N1)C3OC(C(O)C3O)CO)C; C[n+]1cn(c2c1C (=O)NC(=N2)N)C3C(C(C(O3)CO)O)O |
7-METHYLGUANOSINE |
| 33380 | MG8 | 4 | C15 H31 N O6 | InChI=1S/C15H31NO6/c1-3-4 -5-6-7-8-13(20)16(2)9-11( 18)14(21)15(22)12(19)10-1 7/h11-12,14-15,17-19,21-2 2H,3-10H2,1-2H3; SBWGZAXBCCNRTM-UHFFFAOYSA-N |
CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C @@H](CO)O)O)O)O; CCCCCCCC(=O)N(C)CC(O)C( O)C(O)C(O)CO; O=C(N(C)CC(O)C(O)C(O)C(O)C O)CCCCCCC; CCCCCCCC(=O)N(C)CC(C(C(C(CO)O )O)O)O |
N-OCTANOYL-N-METHYLGLUCAMINE; MEGA 8; N-(D-GLUCITYL)-N-METHYLOCTANAMIDE |
| 33381 | MG9 CHEMBL3114185 |
2 | C21 H20 F6 N4 O3 S | InChI=1S/C21H20F6N4O3S/c1 -2-3-16-13-30(35(33,34)17 -8-9-18(28)29-12-17)10-11 -31(16)15-6-4-14(5-7-15)1 9(32,20(22,23)24)21(25,26 )27/h4-9,12,16,32H,10-11, 13H2,1H3,(H2,28,29)/t16-/ m0/s1; SIFKNECWLVONIH-INIZCTEOSA-N |
CC#C[CH]1CN(CCN1c2ccc(cc2)C(O)(C(F)(F)F) C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3; O=S(=O) (c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)( C(F)(F)F)C(F)(F)F)CC3; CC#CC1CN(CCN1c2cc c(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3 ccc(nc3)N; CC#C[C@H]1CN(CCN1c2ccc(cc2)C( C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3) N; CC#C[C@H]1CN(CCN1c2ccc(cc2)C(O)(C(F)( F)F)C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3 |
2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol; AMG-3969 |
| 33382 | MGA CHEMBL442951 DB04046 |
0 | C7 H14 O6 | InChI=1/C7H14O6/c1-12-7-6 (11)5(10)4(9)3(2-8)13-7/h 3-11H,2H2,1H3/t3-,4+,5+,6 -,7-/m1/s1; HOVAGTYPODGVJG-VOQCIKJUBJ |
OC1C(O)C(O)C(OC1OC)CO; CO[C@H]1[C@@H]([C @H]([C@H]([C@H](O1)CO)O)O)O; CO[CH]1O[CH ](CO)[CH](O)[CH](O)[CH]1O; CO[C@@H]1O[C@ H](CO)[C@H](O)[C@H](O)[C@H]1O; COC1C(C(C (C(O1)CO)O)O)O |
BETA-METHYL-D-GALACTOSIDE |
| 33383 | MGB CHEMBL191400 ZINC000004557060 |
2 | C5 H12 N8 | InChI=1S/C5H12N8/c1-3(11- 13-5(8)9)2-10-12-4(6)7/h2 H,1H3,(H4,6,7,12)(H4,8,9, 13)/b10-2+,11-3+; MXWHMTNPTTVWDM-NXOFHUPFSA-N |
N(/NC(=[N@H])N)=C\C(=N\NC(=[N@H])N)C; [H ]/N=C(\N)/N/N=C/C(=NNC(=N)N)C; CC(/C=N/N C(N)=N)=N\NC(N)=N; CC(C=NNC(N)=N)=NNC(N) =N; [H]N=C(N)NN=CC(=NNC(=N)N)C |
METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) |
| 33384 | MGC ZINC000005883988 |
14 | C9 H17 N O6 | InChI=1S/C9H17NO6/c1-4(12 )10-6-8(14)7(13)5(3-11)16 -9(6)15-2/h5-9,11,13-14H, 3H2,1-2H3,(H,10,12)/t5-,6 -,7+,8-,9+/m1/s1; ZEVOCXOZYFLVKN-ZEBDFXRSSA-N |
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1 NC(C)=O; CO[CH]1O[CH](CO)[CH](O)[CH](O)[ CH]1NC(C)=O; O=C(NC1C(O)C(O)C(OC1OC)CO)C ; CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H ]1OC)CO)O)O; CC(=O)NC1C(C(C(OC1OC)CO)O)O |
methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside; ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE; methyl 2-acetamido-2-deoxy-alpha-D-galactoside; methyl 2-acetamido-2-deoxy-D-galactoside; methyl 2-acetamido-2-deoxy-galactoside |
| 33385 | MGD ZINC000195757106 |
455 | C20 H26 N10 O13 P2 S2 | InChI=1S/C20H26N10O13P2S2 /c21-19-26-13-7(15(33)28- 19)24-6-12(47)11(46)5(41- 17(6)25-13)2-40-45(37,38) 43-44(35,36)39-1-4-9(31)1 0(32)18(42-4)30-3-23-8-14 (30)27-20(22)29-16(8)34/h 3-6,9-10,17-18,24,31-32,4 6-47H,1-2H2,(H,35,36)(H,3 7,38)(H3,22,27,29,34)(H4, 21,25,26,28,33)/t4-,5-,6+ ,9-,10-,17-,18-/m1/s1; VQAGYJCYOLHZDH-ILXWUORBSA-N |
NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(= O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O) n5cnc6C(=O)NC(=Nc56)N)C(=C3S)S)C(=O)N1; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O CC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)S) S)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H] ([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O )(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C( N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N; O= C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(= O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O )C(O)C6O; NC1=NC2=C(N[C@@H]3[C@H](N2)O[C @H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O [C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc 56)N)C(=C3S)S)C(=O)N1 |
2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE; MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE |
| 33386 | MGE DB04735 ZINC000053683624 |
0 | C38 H72 O10 | InChI=1S/C38H72O10/c1-3-5 -7-9-11-13-15-16-17-19-21 -23-25-27-34(41)47-31(30- 46-38-37(44)36(43)35(42)3 2(28-39)48-38)29-45-33(40 )26-24-22-20-18-14-12-10- 8-6-4-2/h31-32,35-39,42-4 4H,3-30H2,1-2H3/t31-,32+, 35+,36+,37+,38-/m1/s1; FIJGNIAJTZSERN-DQQGJSMTSA-N |
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H ]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O) CCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC(COC 1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC ; O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C (O)C(O)C1O)CO)CCCCCCCCCCCC; CCCCCCCCCCCC CCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H ](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC ; CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH] (CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC CCCC |
(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE; MONOGALACTOSYL-DIACYLGLYCEROL |
| 33387 | MGF | 47 | F3 Mg | InChI=1S/3FH.Mg/h3*1H;/q; ;;+2/p-3; GJOMWUHGUQLOAC-UHFFFAOYSA-K |
F[Mg-](F)F | TRIFLUOROMAGNESATE |
| 33388 | MGG | 0 | C9 H17 N4 O5 | InChI=1S/C9H16N4O5/c10-9( 11)12-3-1-2-5(8(17)18)13- 6(14)4-7(15)16/h5H,1-4H2, (H,13,14)(H,15,16)(H,17,1 8)(H4,10,11,12)/p+1/t5-/m 1/s1; OBXDDNPKMORRHB-RXMQYKEDSA-O |
C(CC(C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N; C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2 +])N; O=C(NC(C(=O)O)CCCNC(=[NH2+])\N)CC( =O)O; NC(=[NH2+])NCCC[CH](NC(=O)CC(O)=O) C(O)=O; NC(=[NH2+])NCCC[C@@H](NC(=O)CC(O )=O)C(O)=O |
2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID; D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION |
| 33389 | MGH ZINC000095921294 |
2 | C20 H24 N4 O6 | InChI=1S/C20H24N4O6/c1-30 -20(29)16(9-15-10-21-13-2 2-15)23-17(25)11-24(12-19 (27)28)18(26)8-7-14-5-3-2 -4-6-14/h2-6,10,13,16H,7- 9,11-12H2,1H3,(H,21,22)(H ,23,25)(H,27,28)/t16-/m1/ s1; FTBNIEVYMZAOPN-MRXNPFEDSA-N |
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(O) =O)C(=O)CCc2ccccc2; COC(=O)[C@@H](Cc1c[n H]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2; COC(=O)[CH](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O )C(=O)CCc2ccccc2; COC(=O)C(Cc1c[nH]cn1)N C(=O)CN(CC(=O)O)C(=O)CCc2ccccc2; O=C(O)C N(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2nc nc2 |
methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate; (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester |
| 33390 | MGI CHEMBL1234300 DB08179 ZINC000036430941 |
4 | C16 H16 O6 | InChI=1S/C16H16O6/c1-8-4- 12(18)15(19)13(5-8)22-10- 6-9(2)14(11(17)7-10)16(20 )21-3/h4-7,17-19H,1-3H3; BLXSEOJIXHWXQJ-UHFFFAOYSA-N |
Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O) O; O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C ; COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O |
methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate; methyl-gerfelin |
| 33391 | MGJ CHEMBL3235416 ZINC000095921402 |
2 | C20 H27 N5 O4 | InChI=1S/C20H27N5O4/c1-21 -20(29)17(10-16-11-22-14- 23-16)24-18(26)12-25(13-1 9(27)28)9-5-8-15-6-3-2-4- 7-15/h2-4,6-7,11,14,17H,5 ,8-10,12-13H2,1H3,(H,21,2 9)(H,22,23)(H,24,26)(H,27 ,28)/t17-/m0/s1; QEPAXTJXHXPFJN-KRWDZBQOSA-N |
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCC c2ccccc2)CC(=O)O; CNC(=O)[CH](Cc1c[nH]cn 1)NC(=O)CN(CCCc2ccccc2)CC(O)=O; CNC(=O)[ C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC (O)=O; CNC(=O)C(Cc1c[nH]cn1)NC(=O)CN(CCC c2ccccc2)CC(=O)O; O=C(O)CN(CCCc1ccccc1)C C(=O)NC(C(=O)NC)Cc2ncnc2 |
N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide; [{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid |
| 33392 | MGK CHEMBL3235414 ZINC000095921297 |
2 | C20 H26 N4 O5 | InChI=1S/C20H26N4O5/c1-29 -20(28)17(10-16-11-21-14- 22-16)23-18(25)12-24(13-1 9(26)27)9-5-8-15-6-3-2-4- 7-15/h2-4,6-7,11,14,17H,5 ,8-10,12-13H2,1H3,(H,21,2 2)(H,23,25)(H,26,27)/t17- /m0/s1; OLFNGPVNZBLJOR-KRWDZBQOSA-N |
COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CCCc2cc ccc2)CC(O)=O; COC(=O)[C@H](Cc1[nH]cnc1)N C(=O)CN(CCCc2ccccc2)CC(O)=O; O=C(O)CN(CC Cc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2; COC (=O)C(Cc1cnc[nH]1)NC(=O)CN(CCCc2ccccc2)C C(=O)O; COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C [N@](CCCc2ccccc2)CC(=O)O |
methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate; ((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester |
| 33393 | MGL CHEMBL132186 DB01642 ZINC000004262103 |
14 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-7- 6(11)5(10)4(9)3(2-8)13-7/ h3-11H,2H2,1H3/t3-,4-,5+, 6-,7-/m1/s1; HOVAGTYPODGVJG-XUUWZHRGSA-N |
OC1C(O)C(O)C(OC1OC)CO; CO[C@H]1[C@@H]([C @H]([C@@H]([C@H](O1)CO)O)O)O; CO[CH]1O[C H](CO)[CH](O)[CH](O)[CH]1O; CO[C@@H]1O[C @H](CO)[C@@H](O)[C@H](O)[C@H]1O; COC1C(C (C(C(O1)CO)O)O)O |
methyl beta-D-glucopyranoside; O1-METHYL-GLUCOSE; methyl beta-D-glucoside; methyl D-glucoside; methyl glucoside |
| 33394 | MGM CHEMBL71360 DB08180 |
65 | C19 H37 N O7 P2 | InChI=1S/C19H37NO7P2/c1-1 7(2)9-6-10-18(3)11-7-12-1 9(4)13-8-14-20(5)15-16-26 -29(24,25)27-28(21,22)23/ h9,11,13H,6-8,10,12,14-16 H2,1-5H3,(H,24,25)(H2,21, 22,23)/b18-11+,19-13+; OEMBPHBKZPOPBN-NWLVNBMCSA-N |
CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C) /CC\C=C(/C)CCC=C(C)C; CC(=CCC/C(=C/CC/C( =C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C) C; CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP( =O)(O)O)C)C)C; CN(CCO[P](O)(=O)O[P](O)(O )=O)CCC=C(C)CCC=C(C)CCC=C(C)C; O=P(OP(=O )(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C )O)(O)O |
2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE; 3-AZAGERANYLGERANYL DIPHOSPHATE |
| 33395 | MGN ZINC000001675043 |
0 | C6 H12 N2 O3 | InChI=1S/C6H12N2O3/c1-6(8 ,5(10)11)3-2-4(7)9/h2-3,8 H2,1H3,(H2,7,9)(H,10,11)/ t6-/m0/s1; YLTNWAQTQJRBKR-LURJTMIESA-N |
C[C@](N)(CCC(N)=O)C(O)=O; C[C](N)(CCC(N) =O)C(O)=O; C[C@](CCC(=O)N)(C(=O)O)N; CC( CCC(=O)N)(C(=O)O)N; O=C(N)CCC(N)(C(=O)O) C |
2-METHYL-GLUTAMINE |
| 33396 | MGO ZINC000016052587 |
8 | C12 H20 N4 O14 P3 | InChI=1S/C12H19N4O14P3/c1 -15-4-16(5-2-7(13)14-11(1 9)8(5)15)12-10(18)9(17)6( 28-12)3-27-32(23,24)30-33 (25,26)29-31(20,21)22/h2, 4,6,9-10,12,17-18H,3H2,1H 3,(H6-,13,14,19,20,21,22, 23,24,25,26)/p+1/t6-,9-,1 0-,12-/m1/s1; LPHBJZOLBGBNJF-XYHAGOFUSA-O |
C[n+]1cn(c2c1C(=O)NC(=C2)N)C3C(C(C(O3)CO P(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O; C[n+]1c n([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P] (O)(O)=O)[CH](O)[CH]2O)c3C=C(N)NC(=O)c13 ; C[n+]1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O [P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O )c3C=C(N)NC(=O)c13; O=P(O)(O)OP(=O)(O)OP (=O)(O)OCC3OC(n1c[n+](c2c1C=C(N)NC2=O)C) C(O)C3O; C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H ]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[ P@@](=O)(O)OP(=O)(O)O)O)O |
[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE |
| 33397 | MGP CHEMBL1234303 DB02716 ZINC000015601432 |
80 | C11 H19 N5 O14 P3 | InChI=1S/C11H18N5O14P3/c1 -15-3-16(8-5(15)9(19)14-1 1(12)13-8)10-7(18)6(17)4( 28-10)2-27-32(23,24)30-33 (25,26)29-31(20,21)22/h3- 4,6-7,10,17-18H,2H2,1H3,( H6-,12,13,14,19,20,21,22, 23,24,25,26)/p+1/t4-,6-,7 -,10-/m1/s1; DKVRNHPCAOHRSI-KQYNXXCUSA-O |
C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]( [C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O) (O)OP(=O)(O)O)O)O; C[n+]1cn([C@@H]2O[C@H ](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O) [C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13; C[n+ ]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O )(O)OP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP (=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N )NC1=O)C)C(O)C3O; C[n+]1cn([CH]2O[CH](CO [P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O )[CH]2O)c3N=C(N)NC(=O)c13 |
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE |
| 33398 | MGQ CHEMBL1234304 ZINC000016052588 |
2 | C17 H21 N5 O8 P | InChI=1S/C17H20N5O8P/c18- 17-19-14-11(15(25)20-17)2 1(6-9-4-2-1-3-5-9)8-22(14 )16-13(24)12(23)10(30-16) 7-29-31(26,27)28/h1-5,8,1 0,12-13,16,23-24H,6-7H2,( H4-,18,19,20,25,26,27,28) /p+1/t10-,12-,13-,16-/m1/ s1; WMKJRKYLDWLLPS-XNIJJKJLSA-O |
O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO P(=O)(O)O)Cc4ccccc4; c1ccc(cc1)C[n+]2cn( c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C @H](O4)COP(=O)(O)O)O)O; c1ccc(cc1)C[n+]2 cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)( O)O)O)O; NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O )N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH] 4O; NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[ C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H ]4O |
7-BENZYL GUANINE MONOPHOSPHATE |
| 33399 | MGR CHEMBL1181633 DB03895 ZINC000003953819 |
16 | C23 H25 N2 | InChI=1S/C23H25N2/c1-24(2 )21-14-10-19(11-15-21)23( 18-8-6-5-7-9-18)20-12-16- 22(17-13-20)25(3)4/h5-17H ,1-4H3/q+1; VFCNQNZNPKRXIT-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)C(c2ccccc2)=C3C=CC(C=C3)= [N+](C)C; CN(C)c1ccc(cc1)C(=C2C=CC(=[N+] (C)C)C=C2)c3ccccc3; C(=C1\C=C/C(=[N+](/C )C)C=C1)(\c2ccccc2)c3ccc(N(C)C)cc3 |
MALACHITE GREEN |
| 33400 | MGS ZINC000006490928 |
1 | C12 H23 N O7 | InChI=1S/C12H23NO7/c1-6-8 (13-11(17)7(15)4-5-14)9(1 6)10(18-2)12(19-3)20-6/h6 -10,12,14-16H,4-5H2,1-3H3 ,(H,13,17)/t6-,7-,8-,9+,1 0+,12+/m1/s1; NGGZJRAGGXAXNO-DZXYHILESA-N |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC) OC)O)NC(=O)[C@@H](CCO)O; CO[C@H]1O[C@H]( C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H ]1OC; O=C(NC1C(OC(OC)C(OC)C1O)C)C(O)CCO; CO[CH]1O[CH](C)[CH](NC(=O)[CH](O)CCO)[C H](O)[CH]1OC; CC1C(C(C(C(O1)OC)OC)O)NC(= O)C(CCO)O |
methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside; 1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE; methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannoside; methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-D-mannoside; methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-mannoside |