General Information of the Compound
| Compound ID |
CP0558630
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] acetate
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| Structure |
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| Formula |
C24H21ClF3N3O3
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| Molecular Weight |
491.897
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| Canonical SMILES |
CC(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H21ClF3N3O3/c1-15(32)34-19-5-2-16(3-6-19)22-13-29-14-31(22)18-8-10-30(11-9-18)23(33)17-4-7-21(25)20(12-17)24(26,27)28/h2-7,12-14,18H,8-11H2,1H3
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| InChIKey |
ZFKVFSCZJVXRAB-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