General Information of the Compound
| Compound ID |
CP0911631
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| Compound Name |
4-[2-Amino-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
Cc1c(-c2ccc(C#N)cc2)nc(N)nc1N1CCN(C)CC1
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| InChI |
InChI=1S/C17H20N6/c1-12-15(14-5-3-13(11-18)4-6-14)20-17(19)21-16(12)23-9-7-22(2)8-10-23/h3-6H,7-10H2,1-2H3,(H2,19,20,21)
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| InChIKey |
IJNQMDBYMJTFDZ-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