General Information of the Compound
| Compound ID |
CP0850347
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| Compound Name |
2-(cyclohexylmethylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCC1CCCCC1
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| InChI |
InChI=1S/C21H23F3N2O/c22-21(23,24)16-9-6-10-17(13-16)26-20(27)18-11-4-5-12-19(18)25-14-15-7-2-1-3-8-15/h4-6,9-13,15,25H,1-3,7-8,14H2,(H,26,27)
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| InChIKey |
DLPAWFHYMTZRJN-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