 | | A1H7F | | Name: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C29 H41 N3 O6 | | SMILES: | CCn1cc(COC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)cn1 | | InChi: | InChI=1S/C29H41N3O6/c1-5-31-18-20(17-30-31)19-38-29(34)23-13-9-10-14-32(23)28(33)26(21-11-7-6-8-12-21)22-15-24(35-2)27(37-4)25(16-22)36-3/h15-18,21,23,26H,5-14,19H2,1-4H3/t23-,26-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1-ethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | IQM | | Name: | 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide | | Formula: | C17 H15 F N2 O2 | | SMILES: | NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1 | | InChi: | InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21) | | Definition date: | 2023-08-02 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide |
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 | | JSU | | Name: | trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+) | | Formula: | C21 H32 Cl3 N3 O2 Rh S | | SMILES: | [Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C | | InChi: | InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20 | | Definition date: | 2022-08-26 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 |
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 | | HI8 | | Name: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one | | Formula: | C23 H26 N4 O2 | | SMILES: | O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C | | InChi: | InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1 | | Definition date: | 2023-07-21 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one |
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 | | O0R | | Name: | 2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide | | Formula: | C16 H15 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide |
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 | | ZBZ | | Name: | S-(phenylcarbonyl)-L-cysteine | | Formula: | C10 H11 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2010-02-09 | | Last modified: | 2023-11-03 | | Identifier: | S-benzoyl-L-cysteine |
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 | | LEU | | Name: | LEUCINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)CC(C)C | | InChi: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-leucine |
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 | | MN2 | | Name: | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | | Formula: | C11 H17 N2 O2 | | SMILES: | O=C(O)CCNCc1ccc(cc1)C[NH3+] | | InChi: | InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium |
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 | | WJ8 | | Name: | (8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C12 H9 Cl N4 O | | SMILES: | O=C1C=C(Nc2nc(nn12)c1ccccc1)CCl | | InChi: | InChI=1S/C12H9ClN4O/c13-7-9-6-10(18)17-12(14-9)15-11(16-17)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | M6K | | Name: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid | | Formula: | C17 H23 N5 O3 | | SMILES: | O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N | | InChi: | InChI=1S/C17H23N5O3/c18-17(19)13-3-1-12(2-4-13)15-9-14(25-20-15)10-21-5-7-22(8-6-21)11-16(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m0/s1 | | Definition date: | 2022-03-14 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid |
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 | | OQI | | Name: | methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Formula: | C28 H24 Cl F N8 O3 | | SMILES: | Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1 | | InChi: | InChI=1S/C28H24ClFN8O3/c1-41-28(39)33-21-7-4-18(5-8-21)20-13-32-36(14-20)25(12-17-2-3-17)23-10-6-19(15-38(23)40)26-24(37-16-31-34-35-37)11-9-22(29)27(26)30/h4-11,13-17,25H,2-3,12H2,1H3,(H,33,39)/t25-/m1/s1 | | Definition date: | 2022-05-13 | | Last modified: | 2022-07-29 | | Release date: | 2022-08-03 | | Identifier: | methyl (4-{1-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate |
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 | | 5BI | | Name: | methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside | | Formula: | C23 H22 F3 N O10 | | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F | | InChi: | InChI=1S/C23H22F3NO10/c1-11-3-5-12(6-4-11)20(30)36-18-17(29)16(10-28)35-22(34-2)19(18)37-21(31)14-8-7-13(23(24,25)26)9-15(14)27(32)33/h3-9,16-19,22,28-29H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | | Definition date: | 2021-07-16 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside |
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 | | OY3 | | Name: | (4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate | | Formula: | C17 H18 Br N2 O7 P | | SMILES: | O=C(O)C(Cc1cccc(Br)c1)=[NH+]C=C1/C([O-])=C(C)NC=C1COP(=O)(O)O | | InChi: | InChI=1S/C17H18BrN2O7P/c1-10-16(21)14(12(7-19-10)9-27-28(24,25)26)8-20-15(17(22)23)6-11-3-2-4-13(18)5-11/h2-5,7-8,19,21H,6,9H2,1H3,(H,22,23)(H2,24,25,26)/b14-8-,20-15+ | | Definition date: | 2022-05-18 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | (4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate |
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 | | VFD | | Name: | Olodanrigan | | Formula: | C32 H29 N O5 | | SMILES: | N3(C(=O)C(c1ccccc1)c2ccccc2)Cc4c(CC3C(O)=O)c(c(cc4)OC)OCc5ccccc5 | | InChi: | InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | | Synonyms: | EMA401 | | Definition date: | 2020-08-06 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | S9B | | Name: | isoquinoline-5-carboxylic acid | | Formula: | C10 H7 N O2 | | SMILES: | OC(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) | | Definition date: | 2020-11-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | isoquinoline-5-carboxylic acid |
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 | | ZIP | | Name: | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | | Formula: | C10 H13 N5 | | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)C | | InChi: | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) | | Synonyms: | ISOPENTENYLADENINE | | Definition date: | 2004-06-23 | | Last modified: | 2021-03-01 | | Identifier: | N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine |
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 | | R2Q | | Name: | 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile | | Formula: | C20 H13 N3 | | SMILES: | N#Cc1cccc(c1)c2ccc3nc(cn3c2)c4ccccc4 | | InChi: | InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H | | Definition date: | 2020-08-26 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile |
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 | | W6S | | Name: | 4-(1H-pyrazol-3-yl)piperidine | | Formula: | C8 H13 N3 | | SMILES: | c2cc(C1CCNCC1)nn2 | | InChi: | InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-(1H-pyrazol-3-yl)piperidine |
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 | | VBG | | Name: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile | | Formula: | C34 H30 F8 N4 O5 S | | SMILES: | O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C | | InChi: | InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1 | | Definition date: | 2020-07-22 | | Last modified: | 2020-08-07 | | Release date: | 2020-08-12 | | Identifier: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile |
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 | | SV4 | | Name: | 1-(3-methylpyridin-2-yl)-1,4-diazepane | | Formula: | C11 H17 N3 | | SMILES: | Cc1cccnc1N2CCCNCC2 | | InChi: | InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 1-(3-methylpyridin-2-yl)-1,4-diazepane |
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 | | MFU | | Name: | methyl alpha-L-fucopyranoside | | Formula: | C7 H14 O5 | | SMILES: | OC1C(O)C(O)C(OC1OC)C | | InChi: | 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 | | Synonyms: | ALPHA-L-METHYL-FUCOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | methyl 6-deoxy-alpha-L-galactopyranoside |
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 | | 58A | | Name: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | | Formula: | C48 H85 N3 O15 P2 | | SMILES: | O=C1N(C=CC(=N1)N)C2OC(C(C2O)O)COP(=O)(O)OP(O)(OCC(COC(CCCCCCCC=CCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)=O | | InChi: | InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+/t40-,41-,45-,46-,47-/m1/s1 | | Synonyms: | cytidinediphosphate-dioleoylglycerol | | Definition date: | 2015-08-19 | | Last modified: | 2020-07-02 | | Release date: | 2015-11-04 | | Identifier: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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 | | O7B | | Name: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | | Formula: | C19 H24 N2 O | | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | | Synonyms: | Palonosetron | | Definition date: | 2020-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
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 | | EHU | | Name: | 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid | | Formula: | C20 H17 Cl N2 O2 | | SMILES: | CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3 | | InChi: | InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25) | | Definition date: | 2019-12-24 | | Last modified: | 2020-04-10 | | Release date: | 2020-04-15 | | Identifier: | 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid |
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 | | G5H | | Name: | 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine | | Formula: | C13 H18 N4 O11 S | | SMILES: | N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O | | InChi: | InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1 | | Definition date: | 2018-08-29 | | Last modified: | 2019-12-13 | | Release date: | 2019-12-18 | | Identifier: | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid |
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