General Information of the Compound
| Compound ID |
CP0915588
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| Compound Name |
4-[6-Amino-4-(4-methylpiperazin-1-yl)pyridin-2-yl]benzonitrile
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| Structure |
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| Formula |
C17H19N5
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| Molecular Weight |
293.374
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| Canonical SMILES |
CN1CCN(c2cc(N)nc(-c3ccc(C#N)cc3)c2)CC1
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| InChI |
InChI=1S/C17H19N5/c1-21-6-8-22(9-7-21)15-10-16(20-17(19)11-15)14-4-2-13(12-18)3-5-14/h2-5,10-11H,6-9H2,1H3,(H2,19,20)
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| InChIKey |
XYGPDAIHCYRTNU-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