General Information of the Compound
| Compound ID |
CP0431256
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| Compound Name |
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]benzamide
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| Structure |
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| Formula |
C20H31N3O
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| Molecular Weight |
329.488
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| Canonical SMILES |
CN1CCN(CC1)C1(CNC(=O)c2ccccc2C)CCCCC1
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| InChI |
InChI=1S/C20H31N3O/c1-17-8-4-5-9-18(17)19(24)21-16-20(10-6-3-7-11-20)23-14-12-22(2)13-15-23/h4-5,8-9H,3,6-7,10-16H2,1-2H3,(H,21,24)
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| InChIKey |
NZHBNMWPBRFNFV-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