General Information of the Compound
| Compound ID |
CP0523016
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| Compound Name |
N-[(4-chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
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| Structure |
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| Formula |
C20H16ClF3N2O2S
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| Molecular Weight |
440.874
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(F)(F)F)s1
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| InChI |
InChI=1S/C20H16ClF3N2O2S/c21-17-7-3-15(4-8-17)12-25(13-18-9-10-19(29-18)26(27)28)11-14-1-5-16(6-2-14)20(22,23)24/h1-10H,11-13H2
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| InChIKey |
KFYBRPOUANUUAV-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