General Information of the Compound
| Compound ID |
CP0313890
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| Compound Name |
4-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-yl]-1-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-butan-1-ol
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| Structure |
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| Formula |
C31H39NO3
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| Molecular Weight |
473.657
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| Canonical SMILES |
CC(C)(O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H39NO3/c1-30(2,34)25-17-15-24(16-18-25)29(33)14-9-21-32-22-19-28(20-23-32)31(35,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,33-35H,9,14,19-23H2,1-2H3
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| InChIKey |
DRGRCRRKRGIMMI-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