General Information of the Compound
| Compound ID |
CP0568724
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| Compound Name |
N-(2,2-dimethylpropyl)-2-methyl-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 |
C30H45N5
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| Molecular Weight |
475.725
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| Canonical SMILES |
Cc1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
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| InChI |
InChI=1S/C30H45N5/c1-25-31-17-14-29(32-25)35(24-30(2,3)4)23-27-12-10-26(11-13-27)9-8-18-33-21-15-28(16-22-33)34-19-6-5-7-20-34/h8-14,17,28H,5-7,15-16,18-24H2,1-4H3/b9-8+
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| InChIKey |
VPYUGJLFJSAOOB-CMDGGOBGSA-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