General Information of the Compound
| Compound ID |
CP0465342
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C25H25F6N3O4S
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| Molecular Weight |
577.547
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
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| InChI |
InChI=1S/C25H25F6N3O4S/c26-24(27,28)18-11-17(12-19(13-18)25(29,30)31)23(36)33-8-4-5-16(15-33)22(35)32-20-6-3-7-21(14-20)39(37,38)34-9-1-2-10-34/h3,6-7,11-14,16H,1-2,4-5,8-10,15H2,(H,32,35)
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| InChIKey |
LQAKWNUACGLQAS-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