General Information of the Compound
| Compound ID |
CP0464868
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| Compound Name |
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-4-N-[[4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C31H48N6
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| Molecular Weight |
504.767
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| Canonical SMILES |
CN(C)c1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
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| InChI |
InChI=1S/C31H48N6/c1-31(2,3)25-37(29-15-18-32-30(33-29)34(4)5)24-27-13-11-26(12-14-27)10-9-19-35-22-16-28(17-23-35)36-20-7-6-8-21-36/h9-15,18,28H,6-8,16-17,19-25H2,1-5H3/b10-9+
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| InChIKey |
RKRJQFHTDJAFLJ-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