General Information of the Compound
| Compound ID |
CP0434541
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| Compound Name |
6-pyridin-3-yl-8-thiophen-3-yl-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C18H14N2OS
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| Molecular Weight |
306.39
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| Canonical SMILES |
O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
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| InChI |
InChI=1S/C18H14N2OS/c21-17-4-3-12-8-15(13-2-1-6-19-10-13)9-16(18(12)20-17)14-5-7-22-11-14/h1-2,5-11H,3-4H2,(H,20,21)
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| InChIKey |
WESPGWCQIAJQHK-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