Name: PF04929113
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212654887
Cas No:908115-27-5
常用名:PF04929113
别名:SNX-5422, PF-04929113, PF 04929113
IUPAC:(1r,4r)-4-({2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl 2-aminoacetate
IUPAC:(1r,4r)-4-({2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl 2-aminoacetate
InChI key:AVDSOVJPJZVBTC-CTYIDZIISA-N

分子式:C25H30F3N5O4
分子量:521.541
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.8847678
SMILES:CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |wU:18.18,wD:21.25,(4.39,.63,;3.86,2.07,;5.38,2.34,;2.53,1.3,;1.2,2.07,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;.29,-1.01,;-.19,-2.48,;-1.7,-2.8,;-2.17,-4.26,;-3.68,-4.58,;-1.14,-5.41,;-2.73,-1.65,;-4.23,-1.97,;-5.26,-.83,;-6.77,-1.15,;-7.8,-0,;-7.32,1.46,;-5.82,1.78,;-4.79,.64,;-8.35,2.61,;-9.86,2.28,;-10.34,.82,;-10.89,3.43,;-12.4,3.11,;-2.25,-.19,;-.74,5.55,;-1.22,7.02,;-2.21,5.08,;.72,6.03,;2.53,4.38,;2.53,5.92,;3.86,3.61,)|
SMILES:CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |wU:18.18,wD:21.25,(4.39,.63,;3.86,2.07,;5.38,2.34,;2.53,1.3,;1.2,2.07,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;.29,-1.01,;-.19,-2.48,;-1.7,-2.8,;-2.17,-4.26,;-3.68,-4.58,;-1.14,-5.41,;-2.73,-1.65,;-4.23,-1.97,;-5.26,-.83,;-6.77,-1.15,;-7.8,-0,;-7.32,1.46,;-5.82,1.78,;-4.79,.64,;-8.35,2.61,;-9.86,2.28,;-10.34,.82,;-10.89,3.43,;-12.4,3.11,;-2.25,-.19,;-.74,5.55,;-1.22,7.02,;-2.21,5.08,;.72,6.03,;2.53,4.38,;2.53,5.92,;3.86,3.61,)|

PF04929113 (SNX-5422) 是一种合成的新型小分子 Hsp90 抑制剂。作为一种具有强大疗效和耐受性的口服制剂，它被定位为一种突破性疗法，在广泛的癌症中具有广泛的适用性。

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