General Information of the Compound
| Compound ID |
CP0854609
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| Compound Name |
N-{2-{(E)-[2-(2-{[(4-ethoxyphenyl)sulfonyl]-4-methylanilino}acetyl)hydrazono]methyl}phenyl)acetamide
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| Structure |
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| Formula |
C26H28N4O5S
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| Molecular Weight |
508.6
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2NC(C)=O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H28N4O5S/c1-4-35-23-13-15-24(16-14-23)36(33,34)30(22-11-9-19(2)10-12-22)18-26(32)29-27-17-21-7-5-6-8-25(21)28-20(3)31/h5-17H,4,18H2,1-3H3,(H,28,31)(H,29,32)/b27-17+
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| InChIKey |
FVIYLUNZAQJQQY-WPWMEQJKSA-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