General Information of the Compound
| Compound ID |
CP0528624
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| Compound Name |
N-[1-[2-[1-[2-chloro-4-fluoro-5-(methylsulfamoyl)benzoyl]-4-(3-fluorophenyl)piperidin-4-yl]ethyl]piperidin-4-yl]-N-prop-2-enyl-3-[4-(trifluoromethoxy)phenyl]propanamide
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| Structure |
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| Formula |
C39H44ClF5N4O5S
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| Molecular Weight |
811.314
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| Canonical SMILES |
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)CCc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C39H44ClF5N4O5S/c1-3-18-49(36(50)12-9-27-7-10-31(11-8-27)54-39(43,44)45)30-13-19-47(20-14-30)21-15-38(28-5-4-6-29(41)24-28)16-22-48(23-17-38)37(51)32-25-35(55(52,53)46-2)34(42)26-33(32)40/h3-8,10-11,24-26,30,46H,1,9,12-23H2,2H3
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| InChIKey |
QQEQAPDANFXSDU-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