General Information of the Compound
| Compound ID |
CP0377821
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| Compound Name |
N-[[5-(2-cyanophenyl)pyridin-2-yl]methyl]-4-methoxy-N-(6-methoxypyridin-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C26H22N4O4S
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| Molecular Weight |
486.553
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
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| InChI |
InChI=1S/C26H22N4O4S/c1-33-23-10-12-24(13-11-23)35(31,32)30(22-9-14-26(34-2)29-17-22)18-21-8-7-20(16-28-21)25-6-4-3-5-19(25)15-27/h3-14,16-17H,18H2,1-2H3
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| InChIKey |
IKFCIRVGTAQXPA-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