General Information of the Compound
| Compound ID |
CP0460050
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| Compound Name |
2-chloro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C23H14ClF3N2O2
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| Molecular Weight |
442.824
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| Canonical SMILES |
FC(F)(F)c1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
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| InChIKey |
NGZBROVMEZFFKM-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
Protein ID: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened