General Information of the Compound
| Compound ID |
CP0264050
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| Compound Name |
2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C19H22N4
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| Molecular Weight |
306.413
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1
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| InChI |
InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3
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| InChIKey |
HZHGVNZFZLEQOX-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