 | | RJ0 | | Name: | 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one | | Formula: | C11 H11 N O | | SMILES: | C=CC(=O)N1CCc2ccccc12 | | InChi: | InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2 | | Definition date: | 2022-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one |
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 | | NUC | | Name: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | | Formula: | C23 H24 N4 O3 | | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m0/s1 | | Definition date: | 2022-04-08 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
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 | | DO0 | | Name: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione | | Formula: | C14 H12 N2 O5 | | SMILES: | O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O | | InChi: | InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1 | | Definition date: | 2021-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
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 | | DVO | | Name: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | | Formula: | C15 H12 N2 O6 | | SMILES: | O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O | | InChi: | InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1 | | Definition date: | 2021-11-30 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
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 | | E1I | | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Formula: | C30 H28 Cl N9 O4 | | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | | Definition date: | 2021-12-01 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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 | | E2E | | Name: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | | Formula: | C26 H23 Cl2 F N6 O4 | | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | | Definition date: | 2021-12-01 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
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 | | ECK | | Name: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol | | Formula: | C32 H56 O2 | | SMILES: | CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | | InChi: | InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1 | | Definition date: | 2022-01-05 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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 | | I7Y | | Name: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C45 H74 O15 | | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | | InChi: | InChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1 | | Definition date: | 2022-01-21 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | 8PD | | Name: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid | | Formula: | C20 H39 N O4 | | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O | | InChi: | InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1 | | Definition date: | 2021-12-23 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid |
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 | | 90Q | | Name: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | | Formula: | C15 H11 Cl O5 | | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3 | | InChi: | InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1 | | Definition date: | 2021-12-31 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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 | | 91C | | Name: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | | Formula: | C15 H10 Cl2 O5 | | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 | | InChi: | InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1 | | Definition date: | 2021-12-31 | | Last modified: | 2022-12-09 | | Release date: | 2022-12-14 | | Identifier: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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 | | 7N6 | | Name: | (2R)-2-hydroxyhexanoic acid | | Formula: | C6 H12 O3 | | SMILES: | CCCC[CH](O)C(O)=O | | InChi: | InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 | | Definition date: | 2016-11-23 | | Last modified: | 2022-12-06 | | Release date: | 2018-05-09 | | Identifier: | (2~{R})-2-oxidanylhexanoic acid |
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 | | PKN | | Name: | 1H-pyrrole-3-carboxylic acid | | Formula: | C5 H5 N O2 | | SMILES: | O=C(O)c1cc[NH]c1 | | InChi: | InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8) | | Definition date: | 2022-05-26 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | 1H-pyrrole-3-carboxylic acid |
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 | | XG8 | | Name: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide | | Formula: | C13 H14 N2 O3 S3 | | SMILES: | SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1 | | InChi: | InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide |
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 | | XGC | | Name: | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide | | Formula: | C15 H17 N3 O4 S2 | | SMILES: | COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS | | InChi: | InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide |
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 | | LKO | | Name: | 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene | | Formula: | C27 H25 N2 O4 | | SMILES: | COc1ccc2c(CCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC | | InChi: | InChI=1S/C27H25N2O4/c1-30-23-6-5-19-20(4-3-17-7-10-28-11-8-17)26-21-14-25-24(32-16-33-25)13-18(21)9-12-29(26)15-22(19)27(23)31-2/h5-8,10-11,13-15H,3-4,9,12,16H2,1-2H3/q+1 | | Definition date: | 2022-07-06 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene |
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 | | Z6G | | Name: | 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose | | Formula: | C6 H14 N O3 | | SMILES: | OC1C(OC(O)CC1[NH3+])C | | InChi: | InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/p+1/t3-,4-,5+,6-/m0/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose |
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 | | OKU | | Name: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione | | Formula: | C35 H36 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35-/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione |
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 | | OL0 | | Name: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | Formula: | C36 H38 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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 | | WFR | | Name: | propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) | | Formula: | C24 H30 N3 O9 P | | SMILES: | CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(C#C)C1O | | InChi: | InChI=1S/C24H30N3O9P/c1-6-24(5)20(29)18(35-22(24)27-13-12-19(28)25-23(27)31)14-33-37(32,36-17-10-8-7-9-11-17)26-16(4)21(30)34-15(2)3/h1,7-13,15-16,18,20,22,29H,14H2,2-5H3,(H,26,32)(H,25,28,31)/t16-,18+,20+,22+,24+,37-/m0/s1 | | Definition date: | 2022-09-06 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | propan-2-yl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) |
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 | | WG6 | | Name: | Sofosbuvir | | Formula: | C22 H29 F N3 O9 P | | SMILES: | CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)OCC1OC(N2C=CC(=O)NC2=O)C(C)(F)C1O | | InChi: | InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1 | | Definition date: | 2022-09-08 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) |
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 | | YBM | | Name: | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid | | Formula: | C11 H18 N5 O5 P | | SMILES: | O=P(O)(O)CCC(CO)NCc1c[NH]c2c(O)nc(N)nc21 | | InChi: | InChI=1S/C11H18N5O5P/c12-11-15-8-6(4-14-9(8)10(18)16-11)3-13-7(5-17)1-2-22(19,20)21/h4,7,13-14,17H,1-3,5H2,(H2,19,20,21)(H3,12,15,16,18)/t7-/m0/s1 | | Definition date: | 2022-02-04 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid |
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 | | OP9 | | Name: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | Formula: | C35 H36 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35+/m1/s1 | | Definition date: | 2022-09-16 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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 | | T7Q | | Name: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid | | Formula: | C16 H15 N2 O3 | | SMILES: | O=C(O)C([NH3+])Cc1cc2C(=O)c3ccccc3Nc2cc1 | | InChi: | InChI=1S/C16H14N2O3/c17-12(16(20)21)8-9-5-6-14-11(7-9)15(19)10-3-1-2-4-13(10)18-14/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/p+1/t12-/m0/s1 | | Synonyms: | acridone amino acid (RS1) | | Definition date: | 2022-07-20 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | (1S)-1-carboxy-2-(9-oxo-9,10-dihydroacridin-2-yl)ethan-1-aminium |
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 | | Q3F | | Name: | 1-methyl-1H-pyrazol-4-amine | | Formula: | C4 H7 N3 | | SMILES: | Nc1cn(C)nc1 | | InChi: | InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3 | | Definition date: | 2022-06-01 | | Last modified: | 2022-12-02 | | Release date: | 2022-12-07 | | Identifier: | 1-methyl-1H-pyrazol-4-amine |
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