General Information of the Compound
| Compound ID |
CP0486611
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| Compound Name |
1-[4,4-Bis-(4-chloro-phenyl)-butyl]-4-(4-chloro-phenyl)-piperidin-4-ol
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| Structure |
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| Formula |
C27H28Cl3NO
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| Molecular Weight |
488.886
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| Canonical SMILES |
OC1(CCN(CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H28Cl3NO/c28-23-9-3-20(4-10-23)26(21-5-11-24(29)12-6-21)2-1-17-31-18-15-27(32,16-19-31)22-7-13-25(30)14-8-22/h3-14,26,32H,1-2,15-19H2
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| InChIKey |
MOQCAQOBFUPMGV-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