General Information of the Compound
| Compound ID |
CP0392299
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| Compound Name |
4-bromo-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C24H25BrF3N5O2
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| Molecular Weight |
552.395
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| Canonical SMILES |
CN(C)c1nc(NC2CCC(CC2)NC(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C24H25BrF3N5O2/c1-33(2)21-17-5-3-4-6-19(17)31-23(32-21)30-16-10-8-15(9-11-16)29-22(34)18-12-7-14(25)13-20(18)35-24(26,27)28/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,29,34)(H,30,31,32)
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| InChIKey |
NTZDCPIPBYWRFF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01795, Neuropeptide Y receptor type 5