General Information of the Compound
| Compound ID |
CP0372951
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| Compound Name |
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one
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| Synonyms |
2(1H)-Naphthalenone,3,4-dihydro-6-(3-pyridinyl)-
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one
BDBM50273703
CHEMBL462093
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| Structure |
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| Formula |
C15H13NO
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| Molecular Weight |
223.275
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| Canonical SMILES |
O=C1CCc2cc(ccc2C1)-c1cccnc1
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| InChI |
InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
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| InChIKey |
XMIVJNDWTQQRAQ-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
Clinical Information about the Compound