General Information of the Compound
| Compound ID |
CP0542717
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| Compound Name |
6-(4-methylpiperazin-1-yl)-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H28N6
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| Molecular Weight |
340.475
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| Canonical SMILES |
CC(C)c1ccc(CNc2cc(nc(N)n2)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C19H28N6/c1-14(2)16-6-4-15(5-7-16)13-21-17-12-18(23-19(20)22-17)25-10-8-24(3)9-11-25/h4-7,12,14H,8-11,13H2,1-3H3,(H3,20,21,22,23)
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| InChIKey |
NJKVIQBIBILNJY-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