General Information of the Compound
| Compound ID |
CP0436103
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| Compound Name |
1-[4-Biphenyl-4-yl-4-(4-chloro-phenyl)-butyl]-4-(4-chloro-phenyl)-piperidin-4-ol
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| Structure |
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| Formula |
C33H33Cl2NO
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| Molecular Weight |
530.539
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| Canonical SMILES |
OC1(CCN(CCCC(c2ccc(Cl)cc2)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C33H33Cl2NO/c34-30-16-12-28(13-17-30)32(27-10-8-26(9-11-27)25-5-2-1-3-6-25)7-4-22-36-23-20-33(37,21-24-36)29-14-18-31(35)19-15-29/h1-3,5-6,8-19,32,37H,4,7,20-24H2
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| InChIKey |
ROKXROUURNDTKR-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