 | | XI0 | | Name: | 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone | | Formula: | C18 H19 Cl N2 O | | SMILES: | Cc1cncc(CC(=O)N2CCC[CH]2c3cccc(Cl)c3)c1 | | InChi: | InChI=1S/C18H19ClN2O/c1-13-8-14(12-20-11-13)9-18(22)21-7-3-6-17(21)15-4-2-5-16(19)10-15/h2,4-5,8,10-12,17H,3,6-7,9H2,1H3/t17-/m0/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone |
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 | | W28 | | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Formula: | C22 H30 N4 O4 | | SMILES: | CC(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C22H30N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11,13,15-16,18,25,27H,7-10,12H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide |
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 | | WKF | | Name: | 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide | | Formula: | C35 H39 N7 O3 S | | SMILES: | O=C1N[CH]2CS[CH](CCCCNC3CCC(CC3)(C(=O)Nc4cccc5cccnc45)C(=O)Nc6cccc7cccnc67)[CH]2N1 | | InChi: | InChI=1S/C35H39N7O3S/c43-32(39-25-11-3-7-22-9-5-19-37-29(22)25)35(33(44)40-26-12-4-8-23-10-6-20-38-30(23)26)16-14-24(15-17-35)36-18-2-1-13-28-31-27(21-46-28)41-34(45)42-31/h3-12,19-20,24,27-28,31,36H,1-2,13-18,21H2,(H,39,43)(H,40,44)(H2,41,42,45)/t27-,28-,31-/m0/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide |
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 | | XJ9 | | Name: | 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone | | Formula: | C17 H16 Cl2 N2 O | | SMILES: | Cc1cncc(CC(=O)N2CCc3cc(Cl)c(Cl)cc3C2)c1 | | InChi: | InChI=1S/C17H16Cl2N2O/c1-11-4-12(9-20-8-11)5-17(22)21-3-2-13-6-15(18)16(19)7-14(13)10-21/h4,6-9H,2-3,5,10H2,1H3 | | Definition date: | 2023-11-02 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 1-[6,7-bis(chloranyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone |
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 | | U2H | | Name: | ~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine | | Formula: | C20 H24 N2 O | | SMILES: | CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | | InChi: | InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3 | | Definition date: | 2023-05-11 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | ~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine |
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 | | U9X | | Name: | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | | Formula: | C34 H60 N4 O7 | | SMILES: | CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[CH](CC(C)C)C(=CC1=O)OC | | InChi: | InChI=1S/C34H60N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h19-26,28,31H,13-18H2,1-12H3,(H,35,41)(H,36,42)/t23-,24-,25-,26-,28-,31-/m0/s1 | | Definition date: | 2023-01-31 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate |
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 | | UAI | | Name: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol | | Formula: | C15 H14 Cl2 O2 | | SMILES: | CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2 | | InChi: | InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3 | | Definition date: | 2023-01-31 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol |
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 | | OL6 | | Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid | | Formula: | C20 H22 N2 O6 S | | SMILES: | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O | | InChi: | InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1 | | Definition date: | 2023-02-07 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | (2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid |
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 | | OS9 | | Name: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one | | Formula: | C29 H33 N3 O3 | | SMILES: | COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2 | | InChi: | InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33) | | Synonyms: | LMD-009 | | Definition date: | 2023-08-24 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one |
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 | | 7MO | | Name: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine | | Formula: | C13 H22 N7 O6 P | | SMILES: | NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1 | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine |
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 | | 7QJ | | Name: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid | | Formula: | C18 H18 F3 N3 O3 | | SMILES: | CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23 | | InChi: | InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26) | | Definition date: | 2023-07-12 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid |
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 | | JIE | | Name: | [(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate | | Formula: | C17 H26 N6 O7 S | | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23 | | InChi: | InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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 | | NXO | | Name: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide | | Formula: | C19 H14 F N O3 S | | SMILES: | Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34 | | InChi: | InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2 | | Definition date: | 2023-01-19 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide |
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 | | QCX | | Name: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol | | Formula: | C25 H37 N7 O3 | | SMILES: | CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12 | | InChi: | InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol |
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 | | WO0 | | Name: | [(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid | | Formula: | C17 H30 O3 | | SMILES: | O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C | | InChi: | InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2024-01-31 | | Release date: | 2023-06-14 | | Identifier: | [(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid |
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 | | ZP8 | | Name: | 1-(2-cyanoethanoyl)piperidine-4-carboxamide | | Formula: | C9 H13 N3 O2 | | SMILES: | NC(=O)C1CCN(CC1)C(=O)CC#N | | InChi: | InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14) | | Definition date: | 2023-06-29 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 1-(2-cyanoethanoyl)piperidine-4-carboxamide |
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 | | ZPI | | Name: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile | | Formula: | C13 H12 N2 | | SMILES: | N#Cc1cccc2c3CCCCc3[nH]c12 | | InChi: | InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2 | | Definition date: | 2023-06-29 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile |
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 | | ZPU | | Name: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide | | Formula: | C15 H16 N2 O | | SMILES: | CC(C)c1ccc(cc1)C(=O)Nc2ccccn2 | | InChi: | InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18) | | Definition date: | 2023-06-29 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide |
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 | | UJX | | Name: | ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate | | Formula: | C19 H18 N2 O5 | | SMILES: | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3 | | InChi: | InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1 | | Synonyms: | ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate | | Definition date: | 2023-02-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate |
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 | | UKG | | Name: | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide | | Formula: | C11 H7 Br Cl N5 O2 S2 | | SMILES: | Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3 | | InChi: | InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18) | | Definition date: | 2023-02-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide |
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 | | YQN | | Name: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide | | Formula: | C28 H33 N5 O4 | | SMILES: | CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)[CH]4C=NC(=O)NC4=O | | InChi: | InChI=1S/C28H33N5O4/c1-28(2,3)19-11-13-21(14-12-19)33(26(36)22-17-30-27(37)32-24(22)34)23(18-8-7-15-29-16-18)25(35)31-20-9-5-4-6-10-20/h7-8,11-17,20,22-23H,4-6,9-10H2,1-3H3,(H,31,35)(H,32,34,37)/t22-,23-/m0/s1 | | Definition date: | 2023-06-20 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide |
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 | | YCB | | Name: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine | | Formula: | C25 H34 N6 | | SMILES: | CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4 | | InChi: | InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30) | | Definition date: | 2023-06-13 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine |
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 | | UP9 | | Name: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | | Formula: | C28 H38 F N7 O3 | | SMILES: | O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O | | InChi: | InChI=1S/C28H38FN7O3/c1-32-8-11-34(12-9-32)27(38)17-5-6-19-22(14-17)31-24-20(26(30)37)15-21(29)25(23(19)24)35-7-3-4-18(16-35)36-13-10-33(2)28(36)39/h15,17-18,31H,3-14,16H2,1-2H3,(H2,30,37)/t17-,18-/m0/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
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 | | UPI | | Name: | 3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid | | Formula: | C40 H38 N4 O16 | | SMILES: | OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O | | InChi: | InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- | | Synonyms: | uroporphyrin I | | Definition date: | 2023-02-01 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 3-[(1~{Z},9~{Z})-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid |
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 | | YXJ | | Name: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide | | Formula: | C21 H28 N6 O | | SMILES: | NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1 | | InChi: | InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26) | | Definition date: | 2023-03-03 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
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