General Information of the Compound
| Compound ID |
CP0915555
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| Compound Name |
3-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C16H18N6
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| Molecular Weight |
294.362
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| Canonical SMILES |
CN1CCN(c2cc(-c3cccc(C#N)c3)nc(N)n2)CC1
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| InChI |
InChI=1S/C16H18N6/c1-21-5-7-22(8-6-21)15-10-14(19-16(18)20-15)13-4-2-3-12(9-13)11-17/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20)
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| InChIKey |
ZRSUWQHOTHZOIU-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