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QYP
QYP
表記:(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
組成式:C16 H20 Br N O3
SMILES:O=C(O)C1(CC(=O)Nc2ccc(Br)cc21)CCCCCC
InChi:InChI=1S/C16H20BrNO3/c1-2-3-4-5-8-16(15(20)21)10-14(19)18-13-7-6-11(17)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H,20,21)/t16-/m0/s1
定義日:2023-05-08
最終更新日:2023-06-09
公開日:2023-06-14
識別子（ID）:(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
VI0
VI0
表記:(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
組成式:C18 H16 N4
SMILES:Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
InChi:InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1
定義日:2023-05-09
最終更新日:2023-06-09
公開日:2023-06-14
識別子（ID）:(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
VJ3
VJ3
表記:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
組成式:C18 H18 N2 O3
SMILES:OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1
InChi:InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1
定義日:2023-05-09
最終更新日:2023-06-09
公開日:2023-06-14
識別子（ID）:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
U5L
U5L
表記:(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
組成式:C26 H32 O4
SMILES:Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O
InChi:InChI=1S/C26H32O4/c1-15-8-11-20(17-9-10-17)23(22(15)24(25(27)28)30-26(3,4)5)19-12-13-21-18(16(19)2)7-6-14-29-21/h8,11-13,17,24H,6-7,9-10,14H2,1-5H3,(H,27,28)/t24-/m0/s1
定義日:2023-01-26
最終更新日:2023-06-02
公開日:2023-06-07
識別子（ID）:(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
U5S
U5S
表記:(2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
組成式:C25 H27 F O4
SMILES:Cc1ccc(C2CC2)c(c3cc(F)c4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O
InChi:InChI=1S/C25H27FO4/c1-13-5-10-18(15-6-7-15)22(21(13)24(25(27)28)30-16-8-9-16)19-12-20(26)23-17(14(19)2)4-3-11-29-23/h5,10,12,15-16,24H,3-4,6-9,11H2,1-2H3,(H,27,28)/t24-/m0/s1
定義日:2023-01-26
最終更新日:2023-06-02
公開日:2023-06-07
識別子（ID）:(2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
U60
U60
表記:(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid
組成式:C25 H28 O4
SMILES:Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O
InChi:InChI=1S/C25H28O4/c1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21/h5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27)/t24-/m0/s1
定義日:2023-01-26
最終更新日:2023-06-02
公開日:2023-06-07
識別子（ID）:(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid
KTF
KTF
表記:(3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile
組成式:C24 H25 N5 O2
SMILES:N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1
InChi:InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1
定義日:2022-02-15
最終更新日:2023-04-28
公開日:2023-05-03
識別子（ID）:(3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile
GO4
GO4
表記:5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide
組成式:C28 H25 F N6 O2
SMILES:C[CH](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6
InChi:InChI=1S/C28H25FN6O2/c1-16(18-4-3-5-21(29)12-18)30-27(37)23-15-34(2)24-9-8-19(13-22(23)24)20-10-11-35-25(14-20)31-28(33-35)32-26(36)17-6-7-17/h3-5,8-17H,6-7H2,1-2H3,(H,30,37)(H,32,33,36)/t16-/m0/s1
定義日:2022-05-16
最終更新日:2023-04-21
公開日:2023-04-26
識別子（ID）:5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-~{N}-[(1~{S})-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide
JI0
JI0
表記:[4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
組成式:C26 H27 F2 N2 O6 P
SMILES:CCc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F
InChi:InChI=1S/C26H27F2N2O6P/c1-2-20-13-19(7-12-23(20)28)16-29-26(32)24(30-25(31)15-18-3-8-21(27)9-4-18)14-17-5-10-22(11-6-17)36-37(33,34)35/h3-13,24H,2,14-16H2,1H3,(H,29,32)(H,30,31)(H2,33,34,35)/t24-/m0/s1
定義日:2022-04-27
最終更新日:2023-04-21
公開日:2023-04-26
識別子（ID）:[4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
ZP0
ZP0
表記:N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide
組成式:C19 H27 N3 O5
SMILES:Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NCC1OCC(C)(C)OC1
InChi:InChI=1S/C19H27N3O5/c1-19(2)13-26-16(12-27-19)11-20-18(25)22-8-6-21(7-9-22)17(24)14-4-3-5-15(23)10-14/h3-5,10,16,23H,6-9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1
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-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide
I5X
I5X
表記:~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
組成式:C23 H28 N4 O2 S
SMILES:CSCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3
InChi:InChI=1S/C23H28N4O2S/c1-13-19-17(11-23(2,3)12-18(19)28)24-20(13)22(29)27-16(9-10-30-4)21-25-14-7-5-6-8-15(14)26-21/h5-8,16,24H,9-12H2,1-4H3,(H,25,26)(H,27,29)/t16-/m0/s1
定義日:2022-06-10
最終更新日:2023-03-24
公開日:2023-03-29
識別子（ID）:~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
UAU
UAU
表記:(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
組成式:C23 H22 N6 O2
SMILES:O=C(Nc1cnccc1N1CC(C)OCC1)c1ccnn2cc(nc21)c1ccccc1
InChi:InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)/t16-/m0/s1
定義日:2022-08-15
最終更新日:2023-03-17
公開日:2023-03-22
識別子（ID）:(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
XJI
XJI
表記:(3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
組成式:C19 H14 Cl2 F2 N4 O2
SMILES:Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccc(Cl)cc1F
InChi:InChI=1S/C19H14Cl2F2N4O2/c20-10-2-3-11(15(23)6-10)18-12(8-25-27-18)19(29)26-16(7-17(24)28)9-1-4-14(22)13(21)5-9/h1-6,8,16H,7H2,(H2,24,28)(H,25,27)(H,26,29)/t16-/m0/s1
定義日:2022-11-22
最終更新日:2023-02-24
公開日:2023-03-01
識別子（ID）:(3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
K1F
K1F
表記:[(2R,3S,4R,5R)-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C10 H14 N3 O9 P
SMILES:NC(=O)C1=NC=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
InChi:InChI=1S/C10H14N3O9P/c11-8(16)5-9(17)13(2-1-12-5)10-7(15)6(14)4(22-10)3-21-23(18,19)20/h1-2,4,6-7,10,14-15H,3H2,(H2,11,16)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
別名:Beta-D-riboruranosyl-3-oxo-2-pyrazinecarboxamide
定義日:2022-09-06
最終更新日:2023-02-08
公開日:2022-12-28
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
KR9
KR9
表記:~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
組成式:C29 H24 F3 N5 O4
SMILES:CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3
InChi:InChI=1S/C29H24F3N5O4/c1-33-27(38)24(11-17-14-35-22-6-4-3-5-19(17)22)37-28(39)23-9-7-16-13-34-15-21(26(16)36-23)20-12-18(41-29(30,31)32)8-10-25(20)40-2/h3-10,12-15,24,35H,11H2,1-2H3,(H,33,38)(H,37,39)/t24-/m0/s1
定義日:2022-10-13
最終更新日:2023-02-03
公開日:2023-02-08
識別子（ID）:~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
VFX
VFX
表記:1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
組成式:C17 H27 N O2
SMILES:OC1(CCCCC1)C(CN(C)C)c1ccc(OC)cc1
InChi:InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
WBV
WBV
表記:(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
組成式:C27 H31 Cl N4 O3
SMILES:Cc3nc4n(Cc1cnn(C)c1)c(C)c(C)c4c(c2ccc(cc2)Cl)c3C(C(O)=O)OC(C)(C)C
InChi:InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1
別名:Pirmitegravir
定義日:2020-10-12
最終更新日:2023-01-25
公開日:2021-09-22
識別子（ID）:(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
R7X
R7X
表記:1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide
組成式:C20 H20 Br N3 O3
SMILES:O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O
InChi:InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1
定義日:2022-06-22
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide
WJX
WJX
表記:(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
組成式:C26 H34 F3 N7 O4 S
SMILES:O=S(=O)(NC(=O)c1ccc(nc1N1CC(C)CC1(C)C)n1ccc(OCC(C)(C)C(F)(F)F)n1)c1cn(C)nc1C
InChi:InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1
別名:Elexacaftor
定義日:2022-09-16
最終更新日:2022-10-14
公開日:2022-10-19
識別子（ID）:(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
IK6
IK6
表記:3-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-(2-phenyl-2,3-dihydro-1~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-4-carboxamide
組成式:C21 H24 N7 O2
SMILES:CN1NCC(=C1C(=O)N2CCC2)C(=O)Nc3cc[n]4C[CH](Nc4n3)c5ccccc5
InChi:InChI=1S/C21H24N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11,16,22H,5,9-10,12-13H2,1H3,(H2,23,24,25,29)/t16-/m0/s1
定義日:2022-01-26
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:3-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-(2-phenyl-2,3-dihydro-1~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-4-carboxamide
K4L
K4L
表記:(5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one
組成式:C18 H16 N2 O
SMILES:O=C1N=CC(=CC1CCc1ccccc1)c1ccncc1
InChi:InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13,16H,6-7H2/t16-/m0/s1
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one
K4U
K4U
表記:6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
組成式:C21 H26 N8 O S
SMILES:O=C(NC1=NC(CN2CCCCC2)CS1)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C21H26N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,13-14,16H,1-7,11-12H2,(H,24,25)(H,26,28,30)/t16-/m0/s1
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
9WW
9WW
表記:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
組成式:C34 H27 Cl F4 N8 O4 S
SMILES:CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F
InChi:InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1
定義日:2021-10-29
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
JYO
JYO
表記:(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
組成式:C22 H20 F3 N3 O2
SMILES:NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4
InChi:InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1
定義日:2022-05-16
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
1IX
1IX
表記:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
組成式:C24 H21 Cl F N5 O3
SMILES:COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5
InChi:InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
別名:Nedisertib
定義日:2021-06-11
最終更新日:2022-09-28
公開日:2022-01-12
識別子（ID）:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

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件を2025-07-09に公開中

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