General Information of the Compound
| Compound ID |
CP0951041
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| Compound Name |
N-(2-((3-(Trifluoromethyl)phenyl)carbamoyl)phenyl)adamantane-1-carboxamide
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| Structure |
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C25H25F3N2O2/c26-25(27,28)18-4-3-5-19(11-18)29-22(31)20-6-1-2-7-21(20)30-23(32)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,29,31)(H,30,32)
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| InChIKey |
JRQZGOAGCBXTOB-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