General Information of the Compound
| Compound ID |
CP0530707
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| Compound Name |
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
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| Structure |
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| Formula |
C22H23F3N2O2
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| Molecular Weight |
404.432
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCCC2)c1
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| InChI |
InChI=1S/C22H23F3N2O2/c23-22(24,25)16-10-7-11-17(14-16)26-21(29)18-12-5-6-13-19(18)27-20(28)15-8-3-1-2-4-9-15/h5-7,10-15H,1-4,8-9H2,(H,26,29)(H,27,28)
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| InChIKey |
IIWZJZLNNDCNKN-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