General Information of the Compound
| Compound ID |
CP0408466
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| Compound Name |
N-(2,2-dimethylpropyl)-2,6-dimethyl-N-[[4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]methyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C31H47N5
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| Molecular Weight |
489.752
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| Canonical SMILES |
Cc1cc(nc(C)n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
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| InChI |
InChI=1S/C31H47N5/c1-25-22-30(33-26(2)32-25)36(24-31(3,4)5)23-28-13-11-27(12-14-28)10-9-17-34-20-15-29(16-21-34)35-18-7-6-8-19-35/h9-14,22,29H,6-8,15-21,23-24H2,1-5H3/b10-9+
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| InChIKey |
YXYXITFQYVDYLE-MDZDMXLPSA-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