General Information of the Compound
| Compound ID |
CP0568766
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-(diethylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C33H32ClF3N4O5S
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| Molecular Weight |
689.156
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| Canonical SMILES |
CCN(CC)C(=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/C33H32ClF3N4O5S/c1-3-39(4-2)31(42)23-6-5-7-27(18-23)47(44,45)46-26-11-8-22(9-12-26)30-20-38-21-41(30)25-14-16-40(17-15-25)32(43)24-10-13-29(34)28(19-24)33(35,36)37/h5-13,18-21,25H,3-4,14-17H2,1-2H3
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| InChIKey |
QWJGXUREGJBKAK-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