General Information of the Compound
| Compound ID |
CP0384526
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| Compound Name |
4-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]isoquinoline
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| Structure |
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| Formula |
C28H23NO2
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| Molecular Weight |
405.497
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| Canonical SMILES |
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1
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| InChI |
InChI=1S/C28H23NO2/c1-30-24-10-7-19(8-11-24)13-23-14-22-15-25(31-2)12-9-20(22)16-27(23)28-18-29-17-21-5-3-4-6-26(21)28/h3-12,14-18H,13H2,1-2H3
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| InChIKey |
PJPQHGIQKGIZJJ-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial