General Information of the Compound
| Compound ID |
CP0567825
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] methanesulfonate
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| Structure |
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| Formula |
C23H21ClF3N3O4S
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| Molecular Weight |
527.952
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| Canonical SMILES |
CS(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H21ClF3N3O4S/c1-35(32,33)34-18-5-2-15(3-6-18)21-13-28-14-30(21)17-8-10-29(11-9-17)22(31)16-4-7-20(24)19(12-16)23(25,26)27/h2-7,12-14,17H,8-11H2,1H3
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| InChIKey |
YSKICBTUXWUMPM-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