General Information of the Compound
| Compound ID |
CP0509307
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| Compound Name |
N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C21H27N3O
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| Molecular Weight |
337.467
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| Canonical SMILES |
CC(C)N(C(=O)c1ccccc1)c1cccc(c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H27N3O/c1-17(2)24(21(25)18-8-5-4-6-9-18)20-11-7-10-19(16-20)23-14-12-22(3)13-15-23/h4-11,16-17H,12-15H2,1-3H3
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| InChIKey |
VSFXUCDFLJYLPS-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