General Information of the Compound
| Compound ID |
CP0889534
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| Compound Name |
4-ethoxy-N-(4-methylphenyl)-N-{3-oxo-3-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]propyl}benzenesulfonamide
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| Formula |
C26H26N4O5S
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| Molecular Weight |
506.584
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H26N4O5S/c1-3-35-20-12-14-21(15-13-20)36(33,34)30(19-10-8-18(2)9-11-19)17-16-24(31)28-29-25-22-6-4-5-7-23(22)27-26(25)32/h4-15,27,32H,3,16-17H2,1-2H3/b29-28+
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| InChIKey |
PJOYUFYVLCJASN-ZQHSETAFSA-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