General Information of the Compound
| Compound ID |
CP0530294
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| Compound Name |
6-Azepan-1-ylmethyl-2-(5,5-diphenyl-pentyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C33H42N2O
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| Molecular Weight |
482.712
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCCC(c3ccccc3)c3ccccc3)CCc12
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| InChI |
InChI=1S/C33H42N2O/c36-33-30(26-34-21-10-1-2-11-22-34)19-18-29-25-35(24-20-32(29)33)23-12-9-17-31(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-8,13-16,18-19,31,36H,1-2,9-12,17,20-26H2
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| InChIKey |
NCZRIKVJUCWEHH-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