General Information of the Compound
| Compound ID |
CP0374944
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(morpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C26H27F6N3O3
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| Molecular Weight |
543.508
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(CN2CCOCC2)c1
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| InChI |
InChI=1S/C26H27F6N3O3/c27-25(28,29)20-12-19(13-21(14-20)26(30,31)32)24(37)35-6-2-4-18(16-35)23(36)33-22-5-1-3-17(11-22)15-34-7-9-38-10-8-34/h1,3,5,11-14,18H,2,4,6-10,15-16H2,(H,33,36)
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| InChIKey |
JUNNVCZQHLEVMH-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