General Information of the Compound
| Compound ID |
CP0529875
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| Compound Name |
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3-chlorophenyl)methyl]-N-piperidin-4-ylacetamide
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| Structure |
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| Formula |
C22H21ClF6N2O2
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| Molecular Weight |
494.863
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| Canonical SMILES |
FC(F)(F)c1cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21ClF6N2O2/c23-17-3-1-2-14(8-17)12-31(18-4-6-30-7-5-18)20(32)13-33-19-10-15(21(24,25)26)9-16(11-19)22(27,28)29/h1-3,8-11,18,30H,4-7,12-13H2
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| InChIKey |
GZMWGGMRTQFVDM-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