General Information of the Compound
| Compound ID |
CP0528502
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| Compound Name |
4-N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H24N6O
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| Molecular Weight |
328.42
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| Canonical SMILES |
COc1ccc(CNc2cc(nc(N)n2)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C17H24N6O/c1-22-7-9-23(10-8-22)16-11-15(20-17(18)21-16)19-12-13-3-5-14(24-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H3,18,19,20,21)
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| InChIKey |
LAXVFXWUGSEDSP-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