General Information of the Compound
| Compound ID |
CP0431371
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| Compound Name |
2-N-[4-[[[4-bromo-2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
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| Structure |
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| Formula |
C25H29BrF3N5O
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| Molecular Weight |
552.439
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| Canonical SMILES |
CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
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| InChI |
InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-7-16(8-12-19)14-30-15-17-9-10-18(26)13-22(17)35-25(27,28)29/h3-6,9-10,13,16,19,30H,7-8,11-12,14-15H2,1-2H3,(H,31,32,33)
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| InChIKey |
ODLVSMAEEPBMLK-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