General Information of the Compound
| Compound ID |
CP0483765
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| Compound Name |
4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
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| Structure |
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| Formula |
C21H19NO
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| Molecular Weight |
301.389
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| Canonical SMILES |
COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12
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| InChI |
InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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| InChIKey |
QCSKVMGDCMKCLG-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