Name: ATC0065
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318283
Cas No:509145-82-8
常用名:ATC0065
别名:ATC-0065, ATC 0065
IUPAC:N4,N4-dimethyl-N2-[(1s,4s)-4-({2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]quinazoline-2,4-diamine
IUPAC:N4,N4-dimethyl-N2-[(1s,4s)-4-({2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]quinazoline-2,4-diamine
InChI key:FWKVXHBRMCTKHZ-KDURUIRLSA-N

分子式:C25H29BrF3N5O
分子量:552.44
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-6.67,-2.31,;-5.33,-3.08,;-4,-2.31,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-12,-.77,;-13.34,,;-14.67,-.77,;-16,,;-14.67,-2.31,;-13.34,-3.08,;-13.34,-4.62,;-14.67,-5.39,;-16,-6.16,;-13.9,-6.72,;-15.44,-4.06,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|
SMILES:CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-6.67,-2.31,;-5.33,-3.08,;-4,-2.31,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-12,-2.31,;-12,-.77,;-13.34,,;-14.67,-.77,;-16,,;-14.67,-2.31,;-13.34,-3.08,;-13.34,-4.62,;-14.67,-5.39,;-16,-6.16,;-13.9,-6.72,;-15.44,-4.06,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,)|

ATC0065 is a melanin-concentrating hormone receptor 1 antagonist with oral activity.

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