General Information of the Compound
| Compound ID |
CP0392533
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| Compound Name |
2-N-[[4-[[[4-bromo-2-(trifluoromethoxy)phenyl]methyl-methylamino]methyl]cyclohexyl]methyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
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| Structure |
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| Formula |
C27H33BrF3N5O
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| Molecular Weight |
580.493
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| Canonical SMILES |
CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F
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| InChI |
InChI=1S/C27H33BrF3N5O/c1-35(2)25-22-6-4-5-7-23(22)33-26(34-25)32-15-18-8-10-19(11-9-18)16-36(3)17-20-12-13-21(28)14-24(20)37-27(29,30)31/h4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H,32,33,34)
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| InChIKey |
KSWFHJFVFLWBLC-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