General Information of the Compound
| Compound ID |
CP0534051
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| Compound Name |
6-(4-methylpiperazin-1-yl)-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H26N6
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| Molecular Weight |
374.492
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1
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| InChI |
InChI=1S/C22H26N6/c1-27-11-13-28(14-12-27)21-15-20(25-22(23)26-21)24-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H3,23,24,25,26)
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| InChIKey |
COWYWYMPDUMYOA-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