| ET7 | Name: | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | Formula: | C23 H19 F N2 O2 S | SMILES: | CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13 | InChi: | InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27) | Definition date: | 2022-01-12 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide |
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| LNF | Name: | diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium | Formula: | C32 H38 N4 O | SMILES: | CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25 | InChi: | InChI=1S/C32H36N4O/c1-6-36(7-2)20-10-19-33-32(37)24-17-15-23(16-18-24)27-25-13-9-12-22(4)30(25)35(5)31-26-14-8-11-21(3)28(26)34-29(27)31/h8-9,11-18H,6-7,10,19-20H2,1-5H3,(H,33,37)/p+2 | Synonyms: | 4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium | Definition date: | 2022-07-07 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | diethyl-[3-[[4-(4,5,9-trimethyl-10~{H}-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium |
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| IH7 | Name: | ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Formula: | C28 H24 Br Cl2 N7 O4 | SMILES: | C[CH](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N)c5c(Cl)cncc5Cl | InChi: | InChI=1S/C28H24BrCl2N7O4/c1-16(26-20(30)12-33-13-21(26)31)42-24-9-25(34-11-17(24)10-32)36-28(40)18-14-38(3-2-37-4-6-41-7-5-37)23-8-19(29)22(15-39)35-27(18)23/h8-9,11-16H,2-7H2,1H3,(H,34,36,40)/t16-/m1/s1 | Definition date: | 2022-06-30 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | ~{N}-[4-[1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide |
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| IIQ | Name: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide | Formula: | C21 H22 N6 O3 | SMILES: | CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13 | InChi: | InChI=1S/C21H22N6O3/c1-3-7-27-12-16(20-18(27)5-4-15(13-28)25-20)21(29)26-19-9-17(23-6-8-30-2)14(10-22)11-24-19/h4-5,9,11-13H,3,6-8H2,1-2H3,(H2,23,24,26,29) | Definition date: | 2022-07-01 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide |
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| IIW | Name: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Formula: | C24 H26 Br N7 O4 | SMILES: | COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N | InChi: | InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34) | Definition date: | 2022-07-01 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide |
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| ETL | Name: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide | Formula: | C23 H24 Cl N5 O2 | SMILES: | Clc1ccc(cc1)C1(CCCC1)C(=O)N1CCCC1C(=O)Nc1ccc2[NH]ncc2n1 | InChi: | InChI=1S/C23H24ClN5O2/c24-16-7-5-15(6-8-16)23(11-1-2-12-23)22(31)29-13-3-4-19(29)21(30)27-20-10-9-17-18(26-20)14-25-28-17/h5-10,14,19H,1-4,11-13H2,(H,25,28)(H,26,27,30)/t19-/m1/s1 | Definition date: | 2021-12-13 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide |
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| IWU | Name: | 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine | Formula: | C5 H3 Br N4 | SMILES: | Brc1cnc2[nH]nnc2c1 | InChi: | InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10) | Definition date: | 2022-04-14 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 6-bromanyl-3~{H}-[1,2,3]triazolo[4,5-b]pyridine |
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| WW0 | Name: | 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide | Formula: | C12 H16 N4 O2 | SMILES: | CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12 | InChi: | InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18) | Definition date: | 2022-10-21 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide |
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| WWT | Name: | 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide | Formula: | C10 H12 N4 O2 | SMILES: | CCCNC(=O)c1ccnc2[NH]c(O)nc12 | InChi: | InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16) | Definition date: | 2022-10-21 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide |
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| WX6 | Name: | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone | Formula: | C13 H16 N4 O2 | SMILES: | O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1 | InChi: | InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19) | Definition date: | 2022-10-21 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone |
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| WXF | Name: | (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone | Formula: | C12 H14 N4 O3 | SMILES: | CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21 | InChi: | InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1 | Definition date: | 2022-10-21 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone |
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| 8I5 | Name: | 3N methyl nemycin B | Formula: | C24 H48 N6 O13 | SMILES: | CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N | InChi: | InChI=1S/C24H48N6O13/c1-30-7-2-6(27)13(32)21(19(7)41-22-11(28)16(35)14(33)8(3-25)38-22)43-24-18(37)20(10(5-31)40-24)42-23-12(29)17(36)15(34)9(4-26)39-23/h6-24,30-37H,2-5,25-29H2,1H3/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1 | Definition date: | 2021-10-19 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-2-[(2~{S},3~{R},4~{R},5~{S})-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4-azanyl-6-(methylamino)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol |
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| VOW | Name: | (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron | Formula: | C8 H11 B O3 | SMILES: | CCOc1ccc(cc1)B(O)O | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (4-ethoxyphenyl)boronic acid |
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| VP8 | Name: | (3-ethoxyphenyl)boronic acid | Formula: | C8 H11 B O3 | SMILES: | CCOc1cccc(c1)B(O)O | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3-ethoxyphenyl)boronic acid |
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| VQ2 | Name: | [4-(diethylcarbamoyl)phenyl]boronic acid | Formula: | C11 H16 B N O3 | SMILES: | O=C(N(CC)CC)c1ccc(cc1)B(O)O | InChi: | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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| VAV | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | Formula: | C5 H5 B F3 N2 O2 | SMILES: | Cn1nc(cc1[B](O)=O)C(F)(F)F | InChi: | InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
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| WTN | Name: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide | Formula: | C20 H25 N5 O4 S | SMILES: | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC | InChi: | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 | Definition date: | 2022-10-18 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide |
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| 6N9 | Name: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide | Formula: | C24 H21 F2 N3 O4 S | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1 | InChi: | InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide |
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| 6NC | Name: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) | Formula: | C52 H46 F4 N8 O9 S2 | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F | InChi: | InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) |
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| JYX | Name: | 3-ethylimidazo[4,5-b]pyridin-2-amine | Formula: | C8 H10 N4 | SMILES: | CCn1c(N)nc2cccnc12 | InChi: | InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11) | Definition date: | 2022-05-16 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 3-ethylimidazo[4,5-b]pyridin-2-amine |
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| IY6 | Name: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C18 H22 F3 N7 | SMILES: | Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1 | InChi: | InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| J2L | Name: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine | Formula: | C18 H25 N7 O2 S | SMILES: | Cn1nc(nc1CCc1cc(c2nc(C)c(C)n2n1)S(C)(=O)=O)N1CCCC1 | InChi: | InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine |
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| KDX | Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | Formula: | C11 H9 N3 O2 | SMILES: | COc1cccc2[NH]c3c(N=CNC3=O)c21 | InChi: | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) | Definition date: | 2022-02-03 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
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| JNU | Name: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C17 H20 F3 N7 | SMILES: | Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1 | InChi: | InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| JOF | Name: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one | Formula: | C11 H9 Cl N2 O2 | SMILES: | O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C | InChi: | InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one |
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