General Information of the Compound
| Compound ID |
CP0312459
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| Compound Name |
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27N3O2/c1-30-24-9-5-8-21(18-24)25(29)26-22-10-12-23(13-11-22)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
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| InChIKey |
BCNQJBGWWSBCRZ-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