General Information of the Compound
| Compound ID |
CP0487331
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| Compound Name |
6-Azepan-1-ylmethyl-2-(4,4-diphenyl-butyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Synonyms |
BDBM50071611
CHEMBL78017
PD-157667
SCHEMBL7307021
pd157667
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| Structure |
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| Formula |
C32H40N2O
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| Molecular Weight |
468.685
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCC(c3ccccc3)c3ccccc3)CCc12
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| InChI |
InChI=1S/C32H40N2O/c35-32-29(25-33-20-9-1-2-10-21-33)18-17-28-24-34(23-19-31(28)32)22-11-16-30(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,17-18,30,35H,1-2,9-11,16,19-25H2
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| InChIKey |
SBYWDPHGZJEZBN-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
Clinical Information about the Compound