General Information of the Compound
| Compound ID |
CP0847574
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| Compound Name |
4-ethoxy-N-(2-{(2E)-2-[1-(1-hydroxy-2-naphthyl)ethylidene]hydrazino}-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C29H29N3O5S
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| Molecular Weight |
531.634
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| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3ccccc3c2O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C29H29N3O5S/c1-4-37-24-14-16-25(17-15-24)38(35,36)32(23-12-9-20(2)10-13-23)19-28(33)31-30-21(3)26-18-11-22-7-5-6-8-27(22)29(26)34/h5-18,34H,4,19H2,1-3H3,(H,31,33)/b30-21+
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| InChIKey |
XBTYBBKGYXUZQU-MWAVMZGNSA-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