General Information of the Compound
| Compound ID |
CP0380537
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C25H21F6N3O2S
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| Molecular Weight |
541.517
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| Canonical SMILES |
Cc1nc(cs1)-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/C25H21F6N3O2S/c1-14-32-21(13-37-14)15-4-2-6-20(10-15)33-22(35)16-5-3-7-34(12-16)23(36)17-8-18(24(26,27)28)11-19(9-17)25(29,30)31/h2,4,6,8-11,13,16H,3,5,7,12H2,1H3,(H,33,35)
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| InChIKey |
YSSHRHDTIRCHTH-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