General Information of the Compound
| Compound ID |
CP0487998
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| Compound Name |
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]piperidin-4-ol
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| Structure |
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| Formula |
C19H22ClNO2
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| Molecular Weight |
331.843
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| Canonical SMILES |
COc1ccc(CN2CCC(O)CC2)cc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H22ClNO2/c1-23-19-6-5-14(13-21-9-7-17(22)8-10-21)11-18(19)15-3-2-4-16(20)12-15/h2-6,11-12,17,22H,7-10,13H2,1H3
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| InChIKey |
MQYCEDWXZDBANO-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