General Information of the Compound
| Compound ID |
CP0911081
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| Compound Name |
4'-methoxy-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 |
C30H26N4O5S
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| Molecular Weight |
554.628
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| Canonical SMILES |
COc1ccc(-c2ccc(S(=O)(=O)N(CC(=O)/N=N/c3c(O)[nH]c4ccccc34)c3ccc(C)cc3)cc2)cc1
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| InChI |
InChI=1S/C30H26N4O5S/c1-20-7-13-23(14-8-20)34(19-28(35)32-33-29-26-5-3-4-6-27(26)31-30(29)36)40(37,38)25-17-11-22(12-18-25)21-9-15-24(39-2)16-10-21/h3-18,31,36H,19H2,1-2H3/b33-32+
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| InChIKey |
SKBQLCRGDXNOHJ-ULIFNZDWSA-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