General Information of the Compound
| Compound ID |
CP0889533
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| Compound Name |
3-[({[(4-ethoxyphenyl)sulfonyl]-4-methylanilino}-acetyl)hydrazono]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid
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| Formula |
C25H24N4O8S2
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| Molecular Weight |
572.621
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C25H24N4O8S2/c1-3-37-18-8-10-19(11-9-18)38(32,33)29(17-6-4-16(2)5-7-17)15-23(30)27-28-24-21-14-20(39(34,35)36)12-13-22(21)26-25(24)31/h4-14,26,31H,3,15H2,1-2H3,(H,34,35,36)/b28-27+
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| InChIKey |
TVYKZKRSYDWJQH-BYYHNAKLSA-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