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NQQ
NQQ
表記:2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
組成式:C19 H20 Cl N5 O2
SMILES:CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc12
InChi:InChI=1S/C19H20ClN5O2/c1-19(2,27)7-9-25-16-10-12(4-5-15(16)24(3)18(25)26)23-14-6-8-22-17(20)13(14)11-21/h4-6,8,10,27H,7,9H2,1-3H3,(H,22,23)
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
NQT
NQT
表記:5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
組成式:C22 H26 Cl N7 O2
SMILES:CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n4nc(C)cc4C)ccc12
InChi:InChI=1S/C22H26ClN7O2/c1-13-10-14(2)30(27-13)20-24-12-16(23)19(26-20)25-15-6-7-17-18(11-15)29(21(31)28(17)5)9-8-22(3,4)32/h6-7,10-12,32H,8-9H2,1-5H3,(H,24,25,26)
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
NQW
NQW
表記:5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
組成式:C23 H31 Cl N6 O3
SMILES:C[CH]1CN(C[CH](C)O1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
InChi:InChI=1S/C23H31ClN6O3/c1-14-12-29(13-15(2)33-14)21-25-11-17(24)20(27-21)26-16-6-7-18-19(10-16)30(22(31)28(18)5)9-8-23(3,4)32/h6-7,10-11,14-15,32H,8-9,12-13H2,1-5H3,(H,25,26,27)/t14-,15+
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
NQZ
NQZ
表記:5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
組成式:C24 H31 Cl F2 N6 O2
SMILES:C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
InChi:InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
NR5
NR5
表記:5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
組成式:C25 H35 Cl N6 O3
SMILES:CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC(C)(C)C4)ccc12
InChi:InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
NR8
NR8
表記:2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
組成式:C18 H18 Cl N5 O2
SMILES:CC[CH](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:InChI=1S/C18H18ClN5O2/c1-3-12(25)10-24-16-8-11(4-5-15(16)23(2)18(24)26)22-14-6-7-21-17(19)13(14)9-20/h4-8,12,25H,3,10H2,1-2H3,(H,21,22)/t12-/m0/s1
定義日:2019-12-11
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
S3Y
S3Y
表記:[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
組成式:C9 H12 Cl N3 O
SMILES:C(O)C1NNN(C1)c2ccc(cc2)Cl
InChi:InChI=1S/C9H12ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-4,8,11-12,14H,5-6H2
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
S4D
S4D
表記:(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
組成式:C14 H19 N O2
SMILES:c1cc(cc2c1OCO2)CNC3CC(C)CC3
InChi:InChI=1S/C14H19NO2/c1-10-2-4-12(6-10)15-8-11-3-5-13-14(7-11)17-9-16-13/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
S4V
S4V
表記:~{N}2-pyridin-2-ylbenzene-1,2-diamine
組成式:C11 H11 N3
SMILES:Nc1ccccc1Nc2ccccn2
InChi:InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}2-pyridin-2-ylbenzene-1,2-diamine
S4Y
S4Y
表記:(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
組成式:C11 H13 Cl N2 O2
SMILES:c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2
InChi:InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
S5G
S5G
表記:(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
組成式:C6 H12 N2 O S2
SMILES:CN1C(=S)S[CH](NO)C1(C)C
InChi:InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
S64
S64
表記:(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
組成式:C14 H17 N O S
SMILES:COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23
InChi:InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
S7A
S7A
表記:3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
組成式:C7 H11 F3 N2 O
SMILES:FC(F)(F)CC(=O)N1CCNCC1
InChi:InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
S7G
S7G
表記:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
組成式:C11 H14 N2 O
SMILES:CC(=O)N[CH]1CNc2ccccc2C1
InChi:InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
S7J
S7J
表記:2-(trifluoromethyl)pyrimidine-5-carboxamide
組成式:C6 H4 F3 N3 O
SMILES:NC(=O)c1cnc(nc1)C(F)(F)F
InChi:InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-(trifluoromethyl)pyrimidine-5-carboxamide
S8D
S8D
表記:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
組成式:C10 H20 N2 O2
SMILES:CCNC(=O)CN1C[CH](C)OC[CH]1C
InChi:InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
S8G
S8G
表記:1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
組成式:C9 H15 F3 N2 O
SMILES:N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
InChi:InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
S8J
S8J
表記:3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
組成式:C11 H13 N5 O2
SMILES:CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
InChi:InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
S8P
S8P
表記:5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
組成式:C10 H14 N2 O2 S
SMILES:Cc1snc(c1)C(=O)NC[CH]2CCCO2
InChi:InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
S8V
S8V
表記:~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
組成式:C8 H15 N O
SMILES:C1C[CH](CNC2CC2)CO1
InChi:InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
S9D
S9D
表記:2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
組成式:C13 H14 N4 O
SMILES:C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
S9G
S9G
表記:cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
組成式:C13 H20 N2 O3
SMILES:O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
S9M
S9M
表記:2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
組成式:C9 H10 F2 N2 O
SMILES:C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
S9S
S9S
表記:~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
組成式:C9 H12 F N O2 S
SMILES:C[S](=O)(=O)NCCc1ccc(F)cc1
InChi:InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
S9V
S9V
表記:1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
組成式:C11 H15 Cl N2 O2
SMILES:CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea

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