General Information of the Compound
| Compound ID |
CP0453857
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| Compound Name |
N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H24N2O4S
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| Molecular Weight |
460.555
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24N2O4S/c1-32-23-14-12-22(13-15-23)28(33(30,31)24-10-3-2-4-11-24)18-21-17-20-8-5-7-19-9-6-16-27(25(19)20)26(21)29/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3
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| InChIKey |
JEAVHKAWHCUPHJ-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