General Information of the Compound
| Compound ID |
CP0442674
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| Compound Name |
7-[5-(benzenesulfonyl)pyridin-3-yl]-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C22H18N4O2S
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| Molecular Weight |
402.479
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| Canonical SMILES |
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H18N4O2S/c1-15-24-25-22-10-8-17-11-16(7-9-21(17)26(15)22)18-12-20(14-23-13-18)29(27,28)19-5-3-2-4-6-19/h2-7,9,11-14H,8,10H2,1H3
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| InChIKey |
UARIGMPPYBYPPC-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