General Information of the Compound
| Compound ID |
CP0562313
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| Compound Name |
N-(2,2-dimethylpropyl)-N-[[4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C30H42F3N5
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| Molecular Weight |
529.695
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| Canonical SMILES |
CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1cc(ncn1)C(F)(F)F
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| InChI |
InChI=1S/C30H42F3N5/c1-29(2,3)22-38(28-20-27(30(31,32)33)34-23-35-28)21-25-11-9-24(10-12-25)8-7-15-36-18-13-26(14-19-36)37-16-5-4-6-17-37/h7-12,20,23,26H,4-6,13-19,21-22H2,1-3H3/b8-7+
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| InChIKey |
PTDQNFUQDMYFGK-BQYQJAHWSA-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