 | | ZQ0 | | Name: | N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide | | Formula: | C15 H23 N3 O3 | | SMILES: | Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC | | InChi: | InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20) | | Definition date: | 2023-03-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
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 | | ZQ5 | | Name: | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | | Formula: | C14 H21 N3 O2 S | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1 | | InChi: | InChI=1S/C14H21N3O2S/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19) | | Definition date: | 2023-03-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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 | | ZQ9 | | Name: | 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide | | Formula: | C15 H17 N3 O2 S2 | | SMILES: | O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1 | | InChi: | InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20) | | Definition date: | 2023-03-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide |
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 | | O6F | | Name: | N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide | | Formula: | C26 H33 N3 O3 S | | SMILES: | CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C | | InChi: | InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3 | | Definition date: | 2023-01-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide |
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 | | WRQ | | Name: | N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide | | Formula: | C9 H15 N5 O7 S2 | | SMILES: | O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O | | InChi: | InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15) | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide |
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 | | WSF | | Name: | (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate | | Formula: | C26 H51 O8 P | | SMILES: | O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC | | InChi: | InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1 | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate |
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 | | O93 | | Name: | 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C12 H27 B N2 O5 | | SMILES: | CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O | | InChi: | InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1 | | Definition date: | 2022-08-30 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron |
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 | | SRW | | Name: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol | | Formula: | C26 H31 F N4 O2 | | SMILES: | COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5 | | InChi: | InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3 | | Definition date: | 2019-11-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol |
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 | | OQ3 | | Name: | 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C11 H12 Br N O2 S | | SMILES: | CN(CCS)C(=O)c1cc(Br)cc(C=O)c1 | | InChi: | InChI=1S/C11H12BrNO2S/c1-13(2-3-16)11(15)9-4-8(7-14)5-10(12)6-9/h4-7,16H,2-3H2,1H3 | | Definition date: | 2022-09-16 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | OQ9 | | Name: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C11 H13 N O2 S | | SMILES: | CN(CCS)C(=O)c1ccc(C=O)cc1 | | InChi: | InChI=1S/C11H13NO2S/c1-12(6-7-15)11(14)10-4-2-9(8-13)3-5-10/h2-5,8,15H,6-7H2,1H3 | | Definition date: | 2022-09-16 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | MXO | | Name: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C18 H20 N6 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C18H20N6O3S/c1-28(26,27)22-15-4-2-14(3-5-15)12-18(25)24-10-8-23(9-11-24)17-7-6-16(13-19)20-21-17/h2-7,22H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | MXW | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C17 H20 Cl N5 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C17H20ClN5O3S/c1-27(25,26)21-14-4-2-13(3-5-14)12-17(24)23-10-8-22(9-11-23)16-7-6-15(18)19-20-16/h2-7,21H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | ND6 | | Name: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile | | Formula: | C20 H23 N5 O2 | | SMILES: | O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1 | | Definition date: | 2022-03-31 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
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 | | MZI | | Name: | 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate | | Formula: | C20 H22 Cl N5 O4 | | SMILES: | O=C(Cc1ccc(NC(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C20H22ClN5O4/c1-14(27)30-13-19(28)22-16-4-2-15(3-5-16)12-20(29)26-10-8-25(9-11-26)18-7-6-17(21)23-24-18/h2-7H,8-13H2,1H3,(H,22,28) | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate |
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 | | NE3 | | Name: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | | Formula: | C20 H20 F N5 O | | SMILES: | O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H20FN5O/c21-18-11-14(1-5-17(18)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-6-4-16(13-22)23-24-19/h1,4-6,11,15H,2-3,7-10,12H2 | | Definition date: | 2022-04-01 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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 | | N06 | | Name: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one | | Formula: | C18 H22 Cl N5 O | | SMILES: | O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one |
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 | | N0I | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide | | Formula: | C18 H22 Cl N5 O3 S | | SMILES: | O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C18H22ClN5O3S/c1-22(28(2,26)27)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide |
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 | | N0R | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide | | Formula: | C18 H20 Cl N5 O3 | | SMILES: | O=C(Cc1ccc(NC(=O)CO)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C18H20ClN5O3/c19-15-5-6-16(22-21-15)23-7-9-24(10-8-23)18(27)11-13-1-3-14(4-2-13)20-17(26)12-25/h1-6,25H,7-12H2,(H,20,26) | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide |
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 | | N1F | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide | | Formula: | C18 H20 Cl N5 O2 | | SMILES: | O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25) | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide |
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 | | P2V | | Name: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C26 H30 N6 S | | SMILES: | CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12 | | InChi: | InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30) | | Definition date: | 2022-09-29 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | PJU | | Name: | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol | | Formula: | C22 H25 Cl F2 N6 O3 | | SMILES: | Nc1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[CH]4CO)C(F)F | | InChi: | InChI=1S/C22H25ClF2N6O3/c23-19-10-17(27-22(26)28-19)20-15(11-31(29-20)21(24)25)9-14-3-1-2-4-18(14)34-8-6-30-5-7-33-13-16(30)12-32/h1-4,10-11,16,21,32H,5-9,12-13H2,(H2,26,27,28)/t16-/m1/s1 | | Definition date: | 2022-10-04 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol |
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 | | LU3 | | Name: | 1,3-thiazol-2-ylmethanamine | | Formula: | C4 H6 N2 S | | SMILES: | NCc1sccn1 | | InChi: | InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2 | | Definition date: | 2022-12-08 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 1,3-thiazol-2-ylmethanamine |
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 | | LVF | | Name: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile | | Formula: | C10 H7 Cl N2 | | SMILES: | Clc1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 | | Definition date: | 2022-07-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
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 | | P5L | | Name: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid | | Formula: | C37 H60 N4 O14 | | SMILES: | O=C1C=CN(C(=O)N1)C1OC(C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCCCCC)C2C(=O)O)C(O)C3O)C(O)C1O | | InChi: | InChI=1S/C37H60N4O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(44)53-31-21-19-40(20-22(31)42)26(35(49)50)32(55-36-30(48)27(45)23(52-36)18-38-21)33-28(46)29(47)34(54-33)41-17-16-24(43)39-37(41)51/h16-17,21-23,26-34,36,38,42,45-48H,2-15,18-20H2,1H3,(H,49,50)(H,39,43,51)/t21-,22-,23+,26-,27+,28-,29+,30+,31+,32-,33-,34+,36-/m0/s1 | | Synonyms: | sphaerimicin analogue | | Definition date: | 2022-05-25 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid |
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 | | LVU | | Name: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile | | Formula: | C9 H5 Br2 N3 | | SMILES: | Brc1cc2[nH]nc(CC#N)c2cc1Br | | InChi: | InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14) | | Definition date: | 2022-07-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[5,6-bis(bromanyl)-1~{H}-indazol-3-yl]ethanenitrile |
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