General Information of the Compound
| Compound ID |
CP0549246
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-nitrobenzenesulfonate
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| Structure |
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| Formula |
C28H22ClF3N4O6S
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| Molecular Weight |
635.02
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H22ClF3N4O6S/c29-25-9-6-19(14-24(25)28(30,31)32)27(37)34-12-10-20(11-13-34)35-17-33-16-26(35)18-4-7-22(8-5-18)42-43(40,41)23-3-1-2-21(15-23)36(38)39/h1-9,14-17,20H,10-13H2
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| InChIKey |
BXFHUCVCVXLPSG-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