General Information of the Compound
| Compound ID |
CP0374943
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C21H17F6N3O4
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| Molecular Weight |
489.372
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| Canonical SMILES |
[O-][N+](=O)c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H17F6N3O4/c22-20(23,24)14-7-13(8-15(9-14)21(25,26)27)19(32)29-6-2-3-12(11-29)18(31)28-16-4-1-5-17(10-16)30(33)34/h1,4-5,7-10,12H,2-3,6,11H2,(H,28,31)
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| InChIKey |
MMRBDGSWRBYYKO-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