General Information of the Compound
| Compound ID |
CP0907489
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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}[1,1'-biphenyl]-4-sulfonamide
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| Formula |
C29H24N4O4S
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| Molecular Weight |
524.602
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| Canonical SMILES |
Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C29H24N4O4S/c1-20-11-15-23(16-12-20)33(19-27(34)31-32-28-25-9-5-6-10-26(25)30-29(28)35)38(36,37)24-17-13-22(14-18-24)21-7-3-2-4-8-21/h2-18,30,35H,19H2,1H3/b32-31+
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| InChIKey |
DRLZUALDUDJWNO-QNEJGDQOSA-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