General Information of the Compound
| Compound ID |
CP0419218
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| Compound Name |
1-(3-chlorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
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| Structure |
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| Formula |
C20H17ClN2O2S
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| Molecular Weight |
384.888
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C20H17ClN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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| InChIKey |
YBLBGVFMEHXDQV-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