General Information of the Compound
| Compound ID |
CP0419219
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| Compound Name |
6-pyridin-3-yl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
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| Structure |
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| Formula |
C18H16N2O2S2
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| Molecular Weight |
356.472
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| Canonical SMILES |
O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccs1
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| InChI |
InChI=1S/C18H16N2O2S2/c21-24(22,18-6-3-11-23-18)20-10-2-5-15-12-14(7-8-17(15)20)16-4-1-9-19-13-16/h1,3-4,6-9,11-13H,2,5,10H2
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| InChIKey |
XWBRGTSOGHFBPD-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