 | | XZS | | Name: | N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide | | Formula: | C27 H33 F3 N6 O2 S | | SMILES: | c2c(cc(c(C1CCN(CC1)C)c2F)F)Nc3nc(c(C)cn3)Nc4ccc(F)c(NS(C(C)(C)C)(=O)=O)c4 | | InChi: | InChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34) | | Definition date: | 2021-01-22 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide |
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 | | XZV | | Name: | 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide | | Formula: | C14 H18 Cl N3 O3 | | SMILES: | N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O | | InChi: | InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide |
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 | | XZY | | Name: | 4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide | | Formula: | C12 H13 Cl F3 N3 O3 | | SMILES: | N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O | | InChi: | InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide |
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 | | Y0A | | Name: | N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C14 H21 N3 O3 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NCCCC)=O | | InChi: | InChI=1S/C14H21N3O3/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: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y0D | | Name: | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | | Formula: | C14 H19 N3 O2 S | | SMILES: | N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O | | InChi: | InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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 | | Y0G | | Name: | N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C17 H18 F N3 O4 | | SMILES: | N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O | | InChi: | InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y0J | | Name: | N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C17 H16 N4 O4 | | SMILES: | n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O | | InChi: | InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y0Y | | Name: | 4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide | | Formula: | C17 H19 N3 O4 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O | | InChi: | InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide |
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 | | Y1A | | Name: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide | | Formula: | C13 H19 N3 O3 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O | | InChi: | InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide |
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 | | Y1D | | Name: | N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C16 H15 F2 N3 O3 | | SMILES: | N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O | | InChi: | InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23) | | Definition date: | 2021-01-25 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y1J | | Name: | N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C14 H19 N3 O3 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O | | InChi: | InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19) | | Definition date: | 2021-01-26 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y1M | | Name: | N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C15 H21 N3 O3 S | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O | | InChi: | InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20) | | Definition date: | 2021-01-26 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | Y1P | | Name: | 4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide | | Formula: | C13 H19 N3 O4 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O | | InChi: | InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18) | | Definition date: | 2021-01-26 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide |
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 | | R5S | | Name: | 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | | Formula: | C23 H26 N8 | | SMILES: | N(c2ccc(C1CCNCC1)cc2)c5nc3NCCc3c(c4cnn(CCC#N)c4)n5 | | InChi: | InChI=1S/C23H26N8/c24-9-1-13-31-15-18(14-27-31)21-20-8-12-26-22(20)30-23(29-21)28-19-4-2-16(3-5-19)17-6-10-25-11-7-17/h2-5,14-15,17,25H,1,6-8,10-13H2,(H2,26,28,29,30) | | Definition date: | 2020-01-30 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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 | | Y1S | | Name: | 4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide | | Formula: | C12 H14 F3 N3 O3 | | SMILES: | N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O | | InChi: | InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20) | | Definition date: | 2021-01-26 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide |
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 | | R5Y | | Name: | 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine | | Formula: | C24 H27 N7 | | SMILES: | c2c(ccc(C1CCNCC1)c2)Nc5nc(c3cn(CCC=C)nc3)c4ccnc4n5 | | InChi: | InChI=1S/C24H27N7/c1-2-3-14-31-16-19(15-27-31)22-21-10-13-26-23(21)30-24(29-22)28-20-6-4-17(5-7-20)18-8-11-25-12-9-18/h2,4-7,10,13,15-16,18,25H,1,3,8-9,11-12,14H2,(H2,26,28,29,30) | | Definition date: | 2020-01-30 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
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 | | V5S | | Name: | 2-[(4-bromophenyl)amino]ethan-1-ol | | Formula: | C8 H10 Br N O | | SMILES: | N(CCO)c1ccc(Br)cc1 | | InChi: | InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2 | | Definition date: | 2020-06-30 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 2-[(4-bromophenyl)amino]ethan-1-ol |
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 | | R61 | | Name: | 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione | | Formula: | C26 H29 F3 N6 O2 S | | SMILES: | c1c(c(cc(c1)Nc4c(C)cnc(Nc3cc(c(C2CCN(C)CC2)c(c3)F)F)n4)N5CCCS5(=O)=O)F | | InChi: | InChI=1S/C26H29F3N6O2S/c1-16-15-30-26(32-19-12-21(28)24(22(29)13-19)17-6-9-34(2)10-7-17)33-25(16)31-18-4-5-20(27)23(14-18)35-8-3-11-38(35,36)37/h4-5,12-15,17H,3,6-11H2,1-2H3,(H2,30,31,32,33) | | Definition date: | 2020-01-30 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione |
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 | | R62 | | Name: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid | | Formula: | C21 H22 N2 O2 | | SMILES: | CC1(C)CCC(C)(C)c2nc(cnc12)C#Cc3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C21H22N2O2/c1-20(2)11-12-21(3,4)18-17(20)22-13-16(23-18)10-7-14-5-8-15(9-6-14)19(24)25/h5-6,8-9,13H,11-12H2,1-4H3,(H,24,25) | | Definition date: | 2020-09-03 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid |
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 | | V5V | | Name: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) | | Formula: | C24 H26 F2 N10 O8 P2 S2 | | SMILES: | n1cn5c2ncnc(c12)NCC=CCNc8c3c(n(cn3)C7C(C6OP(S)(OCC4C(C(F)C5O4)OP(S)(=O)OCC6O7)=O)F)ncn8 | | InChi: | InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45-,46+/m1/s1 | | Definition date: | 2020-07-01 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) |
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 | | R6B | | Name: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid | | Formula: | C23 H27 N O2 | | SMILES: | CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C23H27NO2/c1-16(2)24-14-13-23(3,4)20-15-19(10-11-21(20)24)18-8-5-17(6-9-18)7-12-22(25)26/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)/b12-7+ | | Definition date: | 2020-09-03 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid |
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 | | Y2G | | Name: | N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide | | Formula: | C14 H21 N3 O4 | | SMILES: | N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O | | InChi: | InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19) | | Definition date: | 2021-01-28 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
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 | | Y2J | | Name: | 4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide | | Formula: | C13 H18 Cl N3 O4 | | SMILES: | N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O | | InChi: | InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19) | | Definition date: | 2021-01-28 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide |
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 | | R6M | | Name: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | | Formula: | C27 H34 F2 N6 O2 S | | SMILES: | c1(c(ccc(c1)Nc4c(C)cnc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)F)NS(C(C)(C)C)(=O)=O | | InChi: | InChI=1S/C27H34F2N6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33) | | Definition date: | 2020-02-03 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide |
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 | | Y2M | | Name: | N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide | | Formula: | C15 H21 N3 O3 | | SMILES: | N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3 | | InChi: | InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20) | | Definition date: | 2021-01-28 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
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