Name: ATC0065 HCl
Rating: 5 (10 reviews)

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HIT ID:HIT212712111
Cas No:510732-84-0;509145-82-8
常用名:ATC0065 HCl
IUPAC:N4,N4-dimethyl-N2-[(1s,4s)-4-({2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]quinazoline-2,4-diamine dihydrochloride
IUPAC:N4,N4-dimethyl-N2-[(1s,4s)-4-({2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]quinazoline-2,4-diamine dihydrochloride
InChI key:BPGUWYBAINNZQH-LFOVFOEYSA-N

分子式:C25H31BrCl2F3N5O
分子量:625.36
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:7.230377
SMILES:Cl.Cl.CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:9.6,12.13,(11.92,,;-.77,-7.48,;2.63,.99,;3.96,.22,;5.3,.99,;3.96,-1.32,;2.63,-2.09,;2.63,-3.63,;1.3,-4.4,;-.04,-3.63,;-.04,-2.09,;-1.37,-1.32,;-2.71,-2.09,;-2.71,-3.63,;-1.37,-4.4,;-4.04,-1.32,;-4.04,.22,;-5.37,.99,;-5.37,2.53,;-6.71,3.3,;-6.71,4.84,;-5.37,5.61,;-5.37,7.15,;-4.04,4.84,;-4.04,3.3,;-2.71,2.53,;-1.37,3.3,;-.6,1.97,;-2.14,4.63,;-.04,4.07,;3.96,-4.4,;5.3,-3.63,;6.63,-4.4,;7.96,-3.63,;7.96,-2.09,;6.63,-1.32,;5.3,-2.09,)|
SMILES:Cl.Cl.CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:9.6,12.13,(11.92,,;-.77,-7.48,;2.63,.99,;3.96,.22,;5.3,.99,;3.96,-1.32,;2.63,-2.09,;2.63,-3.63,;1.3,-4.4,;-.04,-3.63,;-.04,-2.09,;-1.37,-1.32,;-2.71,-2.09,;-2.71,-3.63,;-1.37,-4.4,;-4.04,-1.32,;-4.04,.22,;-5.37,.99,;-5.37,2.53,;-6.71,3.3,;-6.71,4.84,;-5.37,5.61,;-5.37,7.15,;-4.04,4.84,;-4.04,3.3,;-2.71,2.53,;-1.37,3.3,;-.6,1.97,;-2.14,4.63,;-.04,4.07,;3.96,-4.4,;5.3,-3.63,;6.63,-4.4,;7.96,-3.63,;7.96,-2.09,;6.63,-1.32,;5.3,-2.09,)|

ATC0065 dihydrochloride is a novel nonpeptidic and potent melanin-concentrating hormone receptor 1 (MCHR1) selective antagonist.

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