General Information of the Compound
| Compound ID |
CP0495109
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| Compound Name |
2-[(4-nitrophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C21H15F3N4O4
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| Molecular Weight |
444.369
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H15F3N4O4/c22-21(23,24)13-5-7-14(8-6-13)25-19(29)17-3-1-2-4-18(17)27-20(30)26-15-9-11-16(12-10-15)28(31)32/h1-12H,(H,25,29)(H2,26,27,30)
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| InChIKey |
BLHZHZPWSGDTMV-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