 | | VRI | | Name: | [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | | Formula: | C21 H35 N O4 S | | SMILES: | CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O | | InChi: | InChI=1S/C21H35NO4S/c1-13(23)17-6-7-18-16-5-4-14-12-15(26-27(22,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H2,22,24,25)/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate |
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 | | VRN | | Name: | [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | | Formula: | C18 H23 N O4 S | | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O[S](N)(=O)=O)ccc34)[CH]1CCC2=O | | InChi: | InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate |
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 | | VS9 | | Name: | [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate | | Formula: | C18 H25 N O3 S | | SMILES: | C[C]12CCC[CH]1[CH]3CCc4cc(O[S](N)(=O)=O)ccc4[CH]3CC2 | | InChi: | InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1 | | Definition date: | 2023-03-30 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
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 | | VSM | | Name: | [(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | | Formula: | C19 H29 N O4 S | | SMILES: | C[C]12CC[CH]3C(=C1CC[CH](C2)O[S](N)(=O)=O)CC[CH]4CC(=O)C[C]34C | | InChi: | InChI=1S/C19H29NO4S/c1-18-8-7-17-15(5-3-12-9-13(21)10-19(12,17)2)16(18)6-4-14(11-18)24-25(20,22)23/h12,14,17H,3-11H2,1-2H3,(H2,20,22,23)/t12-,14+,17-,18+,19-/m1/s1 | | Definition date: | 2023-03-31 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | [(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
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 | | VV8 | | Name: | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide | | Formula: | C16 H23 F3 N2 O4 S2 | | SMILES: | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O | | InChi: | InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25) | | Definition date: | 2023-04-05 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide |
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 | | VX9 | | Name: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid | | Formula: | C31 H56 O4 | | SMILES: | CC[CH](C)[CH](CCC[CH]1CC[CH]2C[CH](CC[C]2(C)C1)OC(=O)CCC(O)=O)[CH](C)CCCC(C)C | | InChi: | InChI=1S/C31H56O4/c1-7-23(4)28(24(5)11-8-10-22(2)3)13-9-12-25-14-15-26-20-27(18-19-31(26,6)21-25)35-30(34)17-16-29(32)33/h22-28H,7-21H2,1-6H3,(H,32,33)/t23-,24+,25-,26-,27-,28-,31+/m0/s1 | | Definition date: | 2023-09-02 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid |
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 | | VXI | | Name: | 3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one | | Formula: | C28 H38 N2 O5 | | SMILES: | COc1ccc(CCN2CCC[CH](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC | | InChi: | InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1 | | Synonyms: | Cilobradine | | Definition date: | 2023-09-02 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | 3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one |
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 | | S5R | | Name: | (2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid | | Formula: | C12 H19 N2 O8 P | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CO)C(O)=O)c1O | | InChi: | InChI=1S/C12H19N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3,14-16H,4-6H2,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m1/s1 | | Definition date: | 2023-04-10 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | (2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid |
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 | | S93 | | Name: | ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide | | Formula: | C18 H21 Cl F N5 O2 | | SMILES: | CC(C)(C)NC(=O)N1CCn2nc(c3ccc(F)c(Cl)c3)c(C(N)=O)c2C1 | | InChi: | InChI=1S/C18H21ClFN5O2/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-12(20)11(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27) | | Definition date: | 2023-04-11 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide |
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 | | W5N | | Name: | [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate | | Formula: | C23 H40 N2 O5 | | SMILES: | CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)N[CH]3CC[CH](N)CC3 | | InChi: | InChI=1S/C23H40N2O5/c1-14(2)6-11-18-23(4,30-18)20-19(28-5)17(12-13-22(20,3)27)29-21(26)25-16-9-7-15(24)8-10-16/h6,15-20,27H,7-13,24H2,1-5H3,(H,25,26)/t15-,16-,17-,18+,19-,20+,22-,23+/m1/s1 | | Synonyms: | (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate | | Definition date: | 2023-05-02 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate |
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 | | WCF | | Name: | 4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide | | Formula: | C27 H26 Cl F2 N3 O4 | | SMILES: | CNC(=O)c1cnc(OCCO)c(F)c1c2c(Cl)c(F)cc3O[C](Cc23)([CH]4CCCN4)c5ccccc5 | | InChi: | InChI=1S/C27H26ClF2N3O4/c1-31-25(35)17-14-33-26(36-11-10-34)24(30)22(17)21-16-13-27(20-8-5-9-32-20,15-6-3-2-4-7-15)37-19(16)12-18(29)23(21)28/h2-4,6-7,12,14,20,32,34H,5,8-11,13H2,1H3,(H,31,35)/t20-,27-/m0/s1 | | Definition date: | 2023-05-11 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | 4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide |
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 | | II1 | | Name: | Aspergillomarasmine A | | Formula: | C10 H17 N3 O8 | | SMILES: | NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O | | InChi: | InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5-,6-/m0/s1 | | Synonyms: | N-[(2S)-2-{[(2S)-2-amino-2-carboxyethyl]amino}-2-carboxyethyl]-L-aspartic acid | | Definition date: | 2023-05-04 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | N-[(2S)-2-{[(2S)-2-amino-2-carboxyethyl]amino}-2-carboxyethyl]-L-aspartic acid |
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 | | WOZ | | Name: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one | | Formula: | C27 H24 O7 | | SMILES: | Cc1cc(O)cc2OC3(C)Cc4cc5c(c(O)c4C(O3)c21)C(=O)c1c(cc(O)cc1O)C5(C)C | | InChi: | InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m0/s1 | | Definition date: | 2022-10-07 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one |
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 | | XXW | | Name: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C29 H34 F2 N6 O3 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(COC)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H34F2N6O3/c1-19-6-7-26(40-9-8-35(3)4)13-27(19)28(38)34-20(2)21-10-22(24-14-32-36(16-24)18-39-5)12-23(11-21)25-15-33-37(17-25)29(30)31/h6-7,10-17,20,29H,8-9,18H2,1-5H3,(H,34,38) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | XYI | | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide | | Formula: | C30 H38 N6 O2 | | SMILES: | CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide |
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 | | XYR | | Name: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C28 H32 F2 N6 O2 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | YIA | | Name: | ~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | | Formula: | C35 H39 F2 N4 O3 | | SMILES: | C[N]1(CCCc2ccccc2)CCN(CC1)C(=O)N(Cc3oc(cc3)C(=O)NCCc4ccc(F)cc4)c5ccc(F)cc5 | | InChi: | InChI=1S/C35H39F2N4O3/c1-41(23-5-8-27-6-3-2-4-7-27)24-21-39(22-25-41)35(43)40(31-15-13-30(37)14-16-31)26-32-17-18-33(44-32)34(42)38-20-19-28-9-11-29(36)12-10-28/h2-4,6-7,9-18H,5,8,19-26H2,1H3,(H,38,42) | | Definition date: | 2023-06-19 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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 | | YJ6 | | Name: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | | Formula: | C41 H41 Cl2 F2 N4 O3 | | SMILES: | Fc1ccc(CCNC(=O)c2oc(CN(C(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)c6ccc(F)cc6)cc2)cc1 | | InChi: | InChI=1S/C41H41Cl2F2N4O3/c42-37-18-10-32(27-38(37)43)29-49(24-4-7-30-5-2-1-3-6-30)25-22-47(23-26-49)41(51)48(35-15-13-34(45)14-16-35)28-36-17-19-39(52-36)40(50)46-21-20-31-8-11-33(44)12-9-31/h1-3,5-6,8-19,27H,4,7,20-26,28-29H2,(H,46,50) | | Synonyms: | -(3,4-Dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | Definition date: | 2023-06-19 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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 | | YJK | | Name: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | | Formula: | C35 H38 Cl2 F N4 O3 | | SMILES: | Fc1ccc(CCNC(=O)c2oc(CNC(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)cc2)cc1 | | InChi: | InChI=1S/C35H38Cl2FN4O3/c36-31-14-10-28(23-32(31)37)25-42(20-4-7-26-5-2-1-3-6-26)21-18-41(19-22-42)35(44)40-24-30-13-15-33(45-30)34(43)39-17-16-27-8-11-29(38)12-9-27/h1-3,5-6,8-15,23H,4,7,16-22,24-25H2,(H,39,43)(H,40,44) | | Definition date: | 2023-06-19 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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 | | Y2I | | Name: | N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C30 H36 N6 O2 | | SMILES: | CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1 | | InChi: | InChI=1S/C30H36N6O2/c1-20-6-9-28(38-11-10-34(3)4)15-29(20)30(37)33-21(2)22-12-23(25-16-31-35(5)18-25)14-24(13-22)26-17-32-36(19-26)27-7-8-27/h6,9,12-19,21,27H,7-8,10-11H2,1-5H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | Y2N | | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide | | Formula: | C27 H31 N5 O2 S | | SMILES: | CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cncs1)c1cn(C)nc1 | | InChi: | InChI=1S/C27H31N5O2S/c1-18-6-7-24(34-9-8-31(3)4)13-25(18)27(33)30-19(2)20-10-21(23-14-29-32(5)16-23)12-22(11-20)26-15-28-17-35-26/h6-7,10-17,19H,8-9H2,1-5H3,(H,30,33) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide |
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 | | Y2R | | Name: | N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C29 H33 N3 O2 S2 | | SMILES: | NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H33N3O2S2/c1-19-7-8-24(34-12-11-32(3)4)17-26(19)29(33)31-20(2)21-14-22(27-6-5-13-35-27)16-23(15-21)28-10-9-25(18-30)36-28/h5-10,13-17,20H,11-12,18,30H2,1-4H3,(H,31,33) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | Y3R | | Name: | ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate | | Formula: | C28 H31 N3 O5 S | | SMILES: | O=C(OCC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c1)c1ccsc1 | | InChi: | InChI=1S/C28H31N3O5S/c1-3-36-27(34)14-13-26(33)31-30-25(32)12-11-20-7-4-5-10-24(20)28(35)29-19(2)21-8-6-9-22(17-21)23-15-16-37-18-23/h4-10,15-19H,3,11-14H2,1-2H3,(H,29,35)(H,30,32)(H,31,33) | | Definition date: | 2023-11-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate |
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 | | XP6 | | Name: | Norbaeocystin | | Formula: | C10 H13 N2 O4 P | | SMILES: | NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15) | | Synonyms: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | XPN | | Name: | Baeocystin | | Formula: | C11 H15 N2 O4 P | | SMILES: | CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16) | | Synonyms: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
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