General Information of the Compound
| Compound ID |
CP0889529
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| Compound Name |
N-(4-chlorophenyl)-4-ethoxy-N-{2-[(2E)-2-(1H-imidazol-2-ylmethylene)hydrazino]-2-oxoethyl}benzenesulfonamide
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| Structure |
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| Formula |
C20H20ClN5O4S
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| Molecular Weight |
461.931
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ncc[nH]2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C20H20ClN5O4S/c1-2-30-17-7-9-18(10-8-17)31(28,29)26(16-5-3-15(21)4-6-16)14-20(27)25-24-13-19-22-11-12-23-19/h3-13H,2,14H2,1H3,(H,22,23)(H,25,27)/b24-13+
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| InChIKey |
YVHGINVRZRXJOT-ZMOGYAJESA-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