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ZP5
ZP5
表記:4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
組成式:C13 H14 N4 O4
SMILES:O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
InChi:InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
ZPB
ZPB
表記:N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
組成式:C13 H19 N3 O2 S
SMILES:O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1
InChi:InChI=1S/C13H19N3O2S/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)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ZPL
ZPL
表記:N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
組成式:C17 H22 N4 O2 S2
SMILES:O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1
InChi:InChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ZQ0
ZQ0
表記:N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
組成式: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)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
ZQ5
ZQ5
表記:N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
組成式: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)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ZQ9
ZQ9
表記:4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
組成式: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)
定義日:2023-03-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
UHI
UHI
表記:(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one
組成式:C21 H21 N O4 S
SMILES:CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(OCC2CC2)cc1
InChi:InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
別名:Trotabresib
定義日:2022-08-18
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one
WRQ
WRQ
表記:N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
組成式: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)
定義日:2022-10-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
WSF
WSF
表記:(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate
組成式: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
定義日:2022-10-17
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate
Y7R
Y7R
表記:(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
組成式:C17 H28 O2
SMILES:CC(=O)OCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
別名:(2E,6E)-farnesyl acetate
定義日:2023-02-22
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
Y88
Y88
表記:6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
組成式:C20 H20 F3 N5 O
SMILES:O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1
InChi:InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m1/s1
定義日:2022-04-01
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Y89
Y89
表記:1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
組成式:C19 H21 Cl N4 O
SMILES:O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:InChI=1S/C19H21ClN4O/c20-17-7-8-18(22-21-17)23-9-11-24(12-10-23)19(25)13-14-1-3-15(4-2-14)16-5-6-16/h1-4,7-8,16H,5-6,9-13H2
定義日:2022-04-01
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
Y90
Y90
表記:6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
組成式:C20 H20 F N5 O
SMILES:O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1
InChi:InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2
定義日:2022-04-01
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Y92
Y92
表記:1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one
組成式:C19 H20 Cl F N4 O
SMILES:O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2
定義日:2022-04-01
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one
Y93
Y93
表記:1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
組成式:C20 H23 Cl N4 O
SMILES:O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1C)c1ccc(Cl)nn1
InChi:InChI=1S/C20H23ClN4O/c1-14-13-24(19-9-8-18(21)22-23-19)10-11-25(14)20(26)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-9,14,17H,6-7,10-13H2,1H3/t14-/m1/s1
定義日:2022-04-01
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
Y99
Y99
表記:6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
組成式:C20 H20 F3 N5 O
SMILES:O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1
InChi:InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m0/s1
定義日:2022-04-11
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
ZIM
ZIM
表記:N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C16 H16 Cl N3 O3
SMILES:O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1
InChi:InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
定義日:2023-03-13
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
ZJ8
ZJ8
表記:4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide
組成式:C13 H19 N3 O3
SMILES:O=C(N1CCN(CC1)C(=O)NCCC)c1ccco1
InChi:InChI=1S/C13H19N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,14,18)
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide
ZJE
ZJE
表記:N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
組成式:C15 H21 N3 O3 S
SMILES:O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1
InChi:InChI=1S/C15H21N3O3S/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/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
ZJI
ZJI
表記:N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C13 H17 N3 O3
SMILES:O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1
InChi:InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18)
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
YX5
YX5
表記:N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide
組成式:C19 H22 N6 O3 S
SMILES:O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1
InChi:InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3
定義日:2022-03-22
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide
ZJN
ZJN
表記:(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
組成式:C27 H29 N5 O4
SMILES:O=C(N1CCN(CC1)C(=O)NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1
InChi:InChI=1S/C27H29N5O4/c33-25(28-29-27(35)31-14-12-30(13-15-31)26(34)24-11-6-16-36-24)23-17-21-9-4-5-10-22(21)19-32(23)18-20-7-2-1-3-8-20/h1-11,16,23H,12-15,17-19H2,(H,28,33)(H,29,35)/t23-/m0/s1
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
ZJR
ZJR
表記:4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide
組成式:C13 H15 N3 O3
SMILES:O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1
InChi:InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18)
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide
ZJW
ZJW
表記:N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide
組成式:C17 H24 N6 O2 S
SMILES:Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1cnnc1CC
InChi:InChI=1S/C17H24N6O2S/c1-3-15-20-19-12-23(15)7-6-18-17(25)22-10-8-21(9-11-22)16(24)14-5-4-13(2)26-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,25)
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide
ZK0
ZK0
表記:N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide
組成式:C21 H30 N4 O2
SMILES:O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1
InChi:InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27)
定義日:2023-03-14
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide

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件を2024-07-10に公開中

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