General Information of the Compound
| Compound ID |
CP0448753
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| Compound Name |
N-[3-[5-[(5-methylpyridin-3-yl)methyl]pyridin-2-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
Cc1cncc(Cc2ccc(nc2)-c2cccc(NS(C)(=O)=O)c2)c1
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| InChI |
InChI=1S/C19H19N3O2S/c1-14-8-16(12-20-11-14)9-15-6-7-19(21-13-15)17-4-3-5-18(10-17)22-25(2,23)24/h3-8,10-13,22H,9H2,1-2H3
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| InChIKey |
NKTWSUGVJMPSNJ-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