General Information of the Compound
| Compound ID |
CP0437506
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| Compound Name |
6-(Pyridin-3-yl)-7,8-dihydronaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C16H12N2
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| Molecular Weight |
232.286
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| Canonical SMILES |
N#Cc1ccc2C=C(CCc2c1)c1cccnc1
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| InChI |
InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-4,7-9,11H,5-6H2
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| InChIKey |
XVEPMZGBTHRPOR-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