General Information of the Compound
| Compound ID |
CP0480557
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| Compound Name |
4-[(6-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
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| Structure |
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| Formula |
C21H17N3O2S
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| Molecular Weight |
375.453
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| Canonical SMILES |
O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H17N3O2S/c22-14-16-5-8-20(9-6-16)27(25,26)24-12-2-4-18-13-17(7-10-21(18)24)19-3-1-11-23-15-19/h1,3,5-11,13,15H,2,4,12H2
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| InChIKey |
YJWKHFKDFBJVDW-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