General Information of the Compound
| Compound ID |
CP0926723
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| Compound Name |
N-(2-{2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H27N3O6S
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| Molecular Weight |
497.573
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(O)cc2O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C25H27N3O6S/c1-4-34-21-10-12-22(13-11-21)35(32,33)28(19-7-5-17(2)6-8-19)16-25(31)27-26-18(3)23-14-9-20(29)15-24(23)30/h5-15,29-30H,4,16H2,1-3H3,(H,27,31)/b26-18+
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| InChIKey |
QKCMTBFQEFVQAF-NLRVBDNBSA-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