General Information of the Compound
| Compound ID |
CP0904928
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| Compound Name |
4-ethoxy-N-{2-[2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-2-oxoethyl}-N-phenylbenzenesulfonamide
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| Formula |
C24H21N5O7S
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| Molecular Weight |
523.527
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H21N5O7S/c1-2-36-18-9-11-19(12-10-18)37(34,35)28(16-6-4-3-5-7-16)15-22(30)26-27-23-20-14-17(29(32)33)8-13-21(20)25-24(23)31/h3-14,25,31H,2,15H2,1H3/b27-26+
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| InChIKey |
REDMLZJTYWNRQH-CYYJNZCTSA-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