General Information of the Compound
| Compound ID |
CP0486884
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| Compound Name |
N-[(4-chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C23H17ClN2O3S
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| Molecular Weight |
436.92
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)c2cccc3ccccc23)s1
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| InChI |
InChI=1S/C23H17ClN2O3S/c24-18-10-8-16(9-11-18)14-25(15-19-12-13-22(30-19)26(28)29)23(27)21-7-3-5-17-4-1-2-6-20(17)21/h1-13H,14-15H2
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| InChIKey |
CHEWMXQNBKULAB-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