General Information of the Compound
| Compound ID |
CP0453858
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| Compound Name |
N-[[5-(2-fluorophenyl)pyridin-2-yl]methyl]-4-methoxy-N-(6-methoxypyridin-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C25H22FN3O4S
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| Molecular Weight |
479.533
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
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| InChI |
InChI=1S/C25H22FN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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| InChIKey |
DKPKYJWPTURBIV-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor