General Information of the Compound
| Compound ID |
CP0465535
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| Compound Name |
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
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| Structure |
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| Formula |
C25H30F3NO4
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| Molecular Weight |
465.512
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc(cc2)C(F)(F)F)c(OC)c1
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| InChI |
InChI=1S/C25H30F3NO4/c1-15-9-16(2)14-29(13-15)23(31)12-20(17-5-7-18(8-6-17)25(26,27)28)24-21(30)10-19(32-3)11-22(24)33-4/h5-8,10-11,15-16,20,30H,9,12-14H2,1-4H3/t15-,16+,20?
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| InChIKey |
BQIQXAYPMMJQSV-NYTJIUQPSA-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