General Information of the Compound
| Compound ID |
CP0506390
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| Compound Name |
6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione
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| Synonyms |
6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione
6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione
BBIRVEDVKRWBOZ-UHFFFAOYSA-N
BDBM50273815
CHEMBL511329
SCHEMBL1119425
ZINC40380214
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| Structure |
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| Formula |
C14H12N2S
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| Molecular Weight |
240.331
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| Canonical SMILES |
S=C1CCc2cc(ccc2N1)-c1cccnc1
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| InChI |
InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
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| InChIKey |
BBIRVEDVKRWBOZ-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