General Information of the Compound
| Compound ID |
CP0853634
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| Compound Name |
N-(2-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-2-oxoethyl)-4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C28H34N4O5S
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| Molecular Weight |
538.67
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C28H34N4O5S/c1-5-31(6-2)24-13-10-22(27(33)18-24)19-29-30-28(34)20-32(23-11-8-21(4)9-12-23)38(35,36)26-16-14-25(15-17-26)37-7-3/h8-19,33H,5-7,20H2,1-4H3,(H,30,34)/b29-19+
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| InChIKey |
MPJYFSTUXZYWKA-VUTHCHCSSA-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