 | | LIV | | Name: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R
,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET
HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL | | Formula: | C29 H55 N5 O18 | | SMILES: | O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO | | InChi: | InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1 | | Synonyms: | LIVIDOMYCIN A | | Definition date: | 2005-11-16 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside |
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 | | 2K2 | | Name: | PKC412 | | Formula: | C35 H30 N4 O4 | | SMILES: | O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C | | InChi: | InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | | Synonyms: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon
a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide | | Definition date: | 2013-11-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide |
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 | | LPP | | Name: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE | | Formula: | C35 H69 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1 | | Synonyms: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate |
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 | | LSM | | Name: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside | | Formula: | C24 H46 O10 Se | | SMILES: | O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1 | | Synonyms: | DODECYL-BETA-D-SELENOMALTOSIDE | | Definition date: | 2011-08-09 | | Last modified: | 2020-06-17 | | Identifier: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside |
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 | | 2O7 | | Name: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | | Formula: | C22 H15 Cl2 N3 O | | SMILES: | Clc4cc(C=1C(=O)N3C(C=1C#N)(Cc2ccc(C#N)cc2)CCC3)cc(Cl)c4 | | InChi: | InChI=1S/C22H15Cl2N3O/c23-17-8-16(9-18(24)10-17)20-19(13-26)22(6-1-7-27(22)21(20)28)11-14-2-4-15(12-25)5-3-14/h2-5,8-10H,1,6-7,11H2/t22-/m0/s1 | | Synonyms: | (7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile | | Definition date: | 2007-07-16 | | Last modified: | 2020-06-17 | | Identifier: | (7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile |
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 | | 2S0 | | Name: | [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen
ta[a]phenanthren-17-yl] acetate | | Formula: | C30 H37 N O4 | | SMILES: | O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5 | | InChi: | InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1 | | Synonyms: | ulipristal acetate | | Definition date: | 2014-06-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-08 | | Identifier: | (11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
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 | | 2SJ | | Name: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | | Formula: | C21 H23 N O6 | | SMILES: | O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O | | InChi: | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1 | | Synonyms: | Colchiceine | | Definition date: | 2014-01-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
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 | | 2UO | | Name: | Mevastatin, Compactin | | Formula: | C23 H34 O5 | | SMILES: | CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12 | | InChi: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | | Synonyms: | (1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-
1-yl (2S)-2-methylbutanoate | | Definition date: | 2014-02-12 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-18 | | Identifier: | [(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate |
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 | | 2V4 | | Name: | rabelomycin | | Formula: | C19 H14 O6 | | SMILES: | O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O | | InChi: | InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 | | Synonyms: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione | | Definition date: | 2014-02-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-01 | | Identifier: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
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 | | LZZ | | Name: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one | | Formula: | C21 H32 O3 | | SMILES: | O=C(C4(O)C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 | | Synonyms: | 17-Hydroxypregnenolone | | Definition date: | 2013-11-15 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-22 | | Identifier: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one |
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 | | M0N | | Name: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID) | | Formula: | C9 H12 N2 O7 P2 | | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12 | | InChi: | InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18) | | Synonyms: | MINODRONATE | | Definition date: | 2005-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
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 | | M8F | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | | Formula: | C14 H25 N3 O6 S2 | | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | | Definition date: | 2011-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
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 | | 6SB | | Name: | Taurodeoxycholate | | Formula: | C26 H45 N O6 S | | SMILES: | C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C | | InChi: | InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 | | Synonyms: | 2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6
,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid | | Definition date: | 2016-06-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-07-20 | | Identifier: | 2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
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 | | 6SY | | Name: | Uridine-3',5'-cyclic monophosphate | | Formula: | C9 H11 N2 O8 P | | SMILES: | O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | cUMP | | Definition date: | 2016-06-16 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | 1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione |
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 | | ME8 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]
(2S)-2-azanyl-4-methylsulfanyl-butanoate | | Formula: | C15 H23 N6 O8 P S | | SMILES: | O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(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 | | Synonyms: | L-methionine-AMP | | Definition date: | 2009-10-30 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | 6VW | | Name: | (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop
enta[a]phenanthren-3-one | | Formula: | C18 H26 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O | | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1 | | Synonyms: | 19-nortestosterone | | Definition date: | 2016-07-06 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one |
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 | | 6WN | | Name: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[
a]phenanthren-17-one | | Formula: | C25 H26 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC(=Cc5ccccc5)C2=O | | InChi: | InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1 | | Synonyms: | 16-benzylidene estrone | | Definition date: | 2016-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2017-02-15 | | Identifier: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one |
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 | | 715 | | Name: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A
MINE | | Formula: | C16 H15 F6 N5 O | | SMILES: | Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F | | InChi: | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | | Synonyms: | Sitagliptin | | Definition date: | 2004-08-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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 | | 71C | | Name: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid | | Formula: | C33 H27 N O8 | | SMILES: | c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45 | | InChi: | InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | | Synonyms: | antagonist A-317491 | | Definition date: | 2016-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-05 | | Identifier: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid |
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 | | 71I | | Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]
[1,3]thiazole-6,7-diol | | Formula: | C11 H20 N2 O4 S | | SMILES: | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | InChi: | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 | | Synonyms: | Butylaminothiazoline | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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 | | 00N | | Name: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra
zolo[1,2-a]pyridazine-1-carboxamide | | Formula: | C24 H34 N8 O3 S | | SMILES: | O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4 | | InChi: | InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1 | | Synonyms: | MOL-127 | | Definition date: | 2010-10-28 | | Last modified: | 2020-06-17 | | Identifier: | (1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
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 | | MVL | | Name: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C8 H12 N2 O4 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 | | Synonyms: | Mannoimidazole | | Definition date: | 2008-01-25 | | Last modified: | 2020-06-17 | | Identifier: | (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | MZR | | Name: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide | | Formula: | C9 H13 N3 O6 | | SMILES: | O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | Mizoribine | | Definition date: | 2011-07-12 | | Last modified: | 2020-06-17 | | Identifier: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
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 | | 08H | | Name: | 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | | Formula: | C17 H13 Cl N4 | | SMILES: | Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4 | | InChi: | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 | | Synonyms: | ALPRAZOLAM | | Definition date: | 2011-10-13 | | Last modified: | 2020-06-17 | | Identifier: | 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
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 | | 08J | | Name: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine | | Formula: | C18 H13 Cl F N3 | | SMILES: | Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C | | InChi: | InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3 | | Synonyms: | Midazolam | | Definition date: | 2011-10-13 | | Last modified: | 2020-06-17 | | Identifier: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine |
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