General Information of the Compound
| Compound ID |
CP0879679
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| Compound Name |
N-{2-[(2E)-2-(2-aminobenzylidene)hydrazino]-2-oxoethyl}-4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2N)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C24H26N4O4S/c1-3-32-21-12-14-22(15-13-21)33(30,31)28(20-10-8-18(2)9-11-20)17-24(29)27-26-16-19-6-4-5-7-23(19)25/h4-16H,3,17,25H2,1-2H3,(H,27,29)/b26-16+
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| InChIKey |
SBZYDBPLQSOQPJ-WGOQTCKBSA-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