General Information of the Compound
| Compound ID |
CP0847573
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| Compound Name |
N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]ethyl}-2-naphthalenesulfonamide
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| Formula |
C27H22N4O4S
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| Molecular Weight |
498.564
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| Canonical SMILES |
Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C27H22N4O4S/c1-18-10-13-21(14-11-18)31(36(34,35)22-15-12-19-6-2-3-7-20(19)16-22)17-25(32)29-30-26-23-8-4-5-9-24(23)28-27(26)33/h2-16,28,33H,17H2,1H3/b30-29+
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| InChIKey |
FUILVOSYSLIWPS-QVIHXGFCSA-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