General Information of the Compound
| Compound ID |
CP0418593
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| Compound Name |
1-(3-methoxyphenyl)sulfonyl-6-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline
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| Structure |
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| Formula |
C22H22N2O3S
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| Molecular Weight |
394.496
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3ccncc3)ccc12
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| InChI |
InChI=1S/C22H22N2O3S/c1-27-20-5-2-6-21(16-20)28(25,26)24-13-3-4-19-15-18(7-8-22(19)24)14-17-9-11-23-12-10-17/h2,5-12,15-16H,3-4,13-14H2,1H3
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| InChIKey |
LSUKHEIKWMOOSK-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