General Information of the Compound
| Compound ID |
CP0507754
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| Compound Name |
6-Azepan-1-ylmethyl-2-(6,6-diphenyl-hexyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C34H44N2O
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| Molecular Weight |
496.739
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCCCC(c3ccccc3)c3ccccc3)CCc12
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| InChI |
InChI=1S/C34H44N2O/c37-34-31(27-35-22-11-1-2-12-23-35)20-19-30-26-36(25-21-33(30)34)24-13-5-10-18-32(28-14-6-3-7-15-28)29-16-8-4-9-17-29/h3-4,6-9,14-17,19-20,32,37H,1-2,5,10-13,18,21-27H2
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| InChIKey |
ASVLWERYKONSMB-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