General Information of the Compound
| Compound ID |
CP0413247
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| Compound Name |
1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
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| Structure |
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| Formula |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
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| InChIKey |
KBAGQAAYCKILIP-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