General Information of the Compound
| Compound ID |
CP0854598
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| Compound Name |
2-(N-(3-chlorophenyl)phenylsulfonamido)-N'-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
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| Structure |
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| Formula |
C22H20ClN3O4S
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| Molecular Weight |
457.939
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| Canonical SMILES |
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O
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| InChI |
InChI=1S/C22H20ClN3O4S/c1-16(20-12-5-6-13-21(20)27)24-25-22(28)15-26(18-9-7-8-17(23)14-18)31(29,30)19-10-3-2-4-11-19/h2-14,27H,15H2,1H3,(H,25,28)/b24-16+
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| InChIKey |
VTULAPVFFRPIMN-LFVJCYFKSA-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