General Information of the Compound
| Compound ID |
CP0963531
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| Compound Name |
2-(cyclohexanecarboxamido)-N-(4-nitrophenyl)benzamide
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| Structure |
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| Formula |
C20H21N3O4
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| Molecular Weight |
367.405
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| Canonical SMILES |
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)C1CCCCC1
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| InChI |
InChI=1S/C20H21N3O4/c24-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)20(25)21-15-10-12-16(13-11-15)23(26)27/h4-5,8-14H,1-3,6-7H2,(H,21,25)(H,22,24)
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| InChIKey |
XLMBIGKMXAKTMS-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