General Information of the Compound
| Compound ID |
CP0442229
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| Compound Name |
3-(4-chlorophenyl)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
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| Structure |
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| Formula |
C24H30ClNO4
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| Molecular Weight |
431.96
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc(Cl)cc2)c(OC)c1
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| InChI |
InChI=1S/C24H30ClNO4/c1-15-9-16(2)14-26(13-15)23(28)12-20(17-5-7-18(25)8-6-17)24-21(27)10-19(29-3)11-22(24)30-4/h5-8,10-11,15-16,20,27H,9,12-14H2,1-4H3/t15-,16+,20?
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| InChIKey |
AZKNYICRIQZMSF-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