General Information of the Compound
| Compound ID |
CP0420264
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] naphthalene-1-sulfonate
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| Structure |
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| Formula |
C32H25ClF3N3O4S
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| Molecular Weight |
640.083
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C32H25ClF3N3O4S/c33-28-13-10-23(18-27(28)32(34,35)36)31(40)38-16-14-24(15-17-38)39-20-37-19-29(39)22-8-11-25(12-9-22)43-44(41,42)30-7-3-5-21-4-1-2-6-26(21)30/h1-13,18-20,24H,14-17H2
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| InChIKey |
CXSPZGULMKVPCE-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