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XMX
XMX
表記:5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol
組成式:C15 H12 F N3 O2
SMILES:Fc1ccc(CNc2ncccc2c2ccon2)c(O)c1
InChi:InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18)
定義日:2022-11-29
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol
XN5
XN5
表記:5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
組成式:C15 H12 F N3 O S
SMILES:Fc1ccc(CNc2ncccc2c2ccsn2)c(O)c1
InChi:InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18)
定義日:2022-11-29
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
XN9
XN9
表記:5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
組成式:C14 H12 F N5 O
SMILES:Fc1ccc(CNc2ncccc2c2nnc[NH]2)c(O)c1
InChi:InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20)
定義日:2022-11-29
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
XNK
XNK
表記:5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
組成式:C14 H11 F N4 O2
SMILES:Fc1ccc(CNc2ncccc2c2ncon2)c(O)c1
InChi:InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17)
定義日:2022-11-29
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
XOW
XOW
表記:5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol
組成式:C15 H13 F N4 O
SMILES:Fc1ccc(CNc2ncccc2c2ncc[NH]2)c(O)c1
InChi:InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19)
定義日:2022-12-03
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol
W2T
W2T
表記:(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
組成式:C26 H24 Cl F N4 O3
SMILES:Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C
InChi:InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1
定義日:2023-09-22
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
N7C
N7C
表記:~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
組成式:C11 H11 N3 O
SMILES:Cn1cnc2c(NC(=O)C=C)cccc12
InChi:InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15)
定義日:2023-01-11
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
MWF
MWF
表記:(2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
組成式:C18 H19 F2 N5 O4
SMILES:C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O
InChi:InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12+/m1/s1
別名:Inavolisib
定義日:2022-08-08
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:(2~{R})-2-[[2-[(4~{S})-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
V1O
V1O
表記:5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol
組成式:C17 H19 Br N2 O4
SMILES:COc1ccc(cc1O)N=Nc2cc(OC)c(CCBr)c(OC)c2
InChi:InChI=1S/C17H19BrN2O4/c1-22-15-5-4-11(8-14(15)21)19-20-12-9-16(23-2)13(6-7-18)17(10-12)24-3/h4-5,8-10,21H,6-7H2,1-3H3
定義日:2023-02-20
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol
9NY
9NY
表記:Hexacosanoyl-CoA
組成式:C47 H86 N7 O17 P3 S
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1
別名:C26:0 Coenzyme A
定義日:2023-04-14
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexacosanethioate
7TG
7TG
表記:[(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate
組成式:C20 H31 N2 O6 P
SMILES:CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH]4C[C]2(CC[CH]4O[P](O)(O)=O)C1
InChi:InChI=1S/C20H31N2O6P/c1-21-14-10-20-8-7-18(28-29(24,25)26)16(11-20)19(23)17(22(20)12-14)9-13-3-5-15(27-2)6-4-13/h3-6,14,16-19,21,23H,7-12H2,1-2H3,(H2,24,25,26)/t14-,16-,17-,18-,19-,20+/m0/s1
定義日:2021-10-25
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:[(1~{S},3~{S},6~{S},7~{S},8~{R},9~{S})-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^{1,5}]dodecan-9-yl] dihydrogen phosphate
I2G
I2G
表記:(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid
組成式:C12 H20 O2
SMILES:CCCC[CH](C)C=C(C)C=CC(O)=O
InChi:InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1
定義日:2022-05-31
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid
J7D
J7D
表記:1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol
組成式:C6 H14 N O9 P
SMILES:OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O
InChi:InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1
定義日:2018-08-20
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol
WID
WID
表記:(2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol
組成式:C20 H19 F N6 O2
SMILES:N[CH](CO)Cn1ccc(n1)c2ccc(Oc3ncc(cc3F)c4[nH]ncc4)cc2
InChi:InChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1
定義日:2023-10-04
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol
WYL
WYL
表記:(2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
組成式:C50 H62 N14 O6 S2
SMILES:CC(C)[CH](n1cc(OCCCCN2CCCN([CH](C)C2)c3nccc(n3)c4noc(n4)[C]5(C)CCCc6sc(N)c(C#N)c56)nn1)C(=O)N7C[CH](O)C[CH]7C(=O)N[CH](CO)c8ccc(cc8)c9scnc9C
InChi:InChI=1S/C50H62N14O6S2/c1-29(2)42(47(68)63-25-34(66)22-38(63)46(67)55-37(27-65)32-11-13-33(14-12-32)43-31(4)54-28-71-43)64-26-40(58-60-64)69-21-7-6-18-61-19-9-20-62(30(3)24-61)49-53-17-15-36(56-49)45-57-48(70-59-45)50(5)16-8-10-39-41(50)35(23-51)44(52)72-39/h11-15,17,26,28-30,34,37-38,42,65-66H,6-10,16,18-22,24-25,27,52H2,1-5H3,(H,55,67)/t30-,34+,37-,38-,42-,50-/m0/s1
定義日:2023-10-17
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(2~{S},4~{R})-1-[(2~{S})-2-[4-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1~{R})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
WYU
WYU
表記:(4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
組成式:C22 H26 N8 O S
SMILES:C[CH]1CNCCCN1c2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45
InChi:InChI=1S/C22H26N8OS/c1-13-12-25-8-4-10-30(13)21-26-9-6-15(27-21)19-28-20(31-29-19)22(2)7-3-5-16-17(22)14(11-23)18(24)32-16/h6,9,13,25H,3-5,7-8,10,12,24H2,1-2H3/t13-,22-/m0/s1
定義日:2023-10-17
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
Y4I
Y4I
表記:1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
組成式:C19 H26 N5 O10 P S
SMILES:CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=S)N3C[CH](CO)O[CH](C3)N4C=CC(=O)NC4=O)O2)C(=O)NC1=O
InChi:InChI=1S/C19H26N5O10PS/c1-10-5-24(19(30)21-17(10)28)15-4-12(26)13(34-15)9-32-35(31,36)22-6-11(8-25)33-16(7-22)23-3-2-14(27)20-18(23)29/h2-3,5,11-13,15-16,25-26H,4,6-9H2,1H3,(H,31,36)(H,20,27,29)(H,21,28,30)/t11-,12-,13+,15+,16+,35-/m0/s1
定義日:2023-11-20
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
VOC
VOC
表記:6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone
組成式:C16 H16 N4 O2
SMILES:CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3
InChi:InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19)
定義日:2023-08-02
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:6,7-dihydro-4~{H}-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2~{H}-indazol-3-yl)methanone
Y4T
Y4T
表記:(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol
組成式:C18 H18 O2
SMILES:Oc1ccc(cc1CC=C)c1cc(CC=C)ccc1O
InChi:InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
別名:Honokiol
定義日:2023-11-20
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol
VOO
VOO
表記:2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
組成式:C26 H26 F N5 O2
SMILES:CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5
InChi:InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33)
定義日:2023-08-02
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide
VOZ
VOZ
表記:(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
組成式:C21 H21 N3 O
SMILES:O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5
InChi:InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2
定義日:2023-08-02
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
VP6
VP6
表記:(3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone
組成式:C21 H23 F N4 O2
SMILES:CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3
InChi:InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24)
定義日:2023-08-02
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone
VQE
VQE
表記:(1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
組成式:C16 H25 N5
SMILES:CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1
InChi:InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3
定義日:2023-08-03
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:(1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
X18
X18
表記:N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
組成式:C21 H25 Br N4 O2
SMILES:Brc1ccc(nc1)C(C)NC(=O)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C
InChi:InChI=1S/C21H25BrN4O2/c1-12(16-9-7-15(22)11-23-16)24-19(27)14-6-8-17-18(10-14)26(20(28)25-17)13(2)21(3,4)5/h6-13H,1-5H3,(H,24,27)(H,25,28)/t12-,13+/m0/s1
定義日:2023-05-30
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
WNH
WNH
表記:{(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol
組成式:C17 H21 F3 N6 O
SMILES:FC(F)(F)c1cc(nc(n1)N1CCC1CO)c1cn(nc1)C1CCNCC1
InChi:InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1
定義日:2023-10-09
最終更新日:2023-12-01
公開日:2023-12-06
識別子（ID）:{(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol

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件を2025-10-22に公開中

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