General Information of the Compound
| Compound ID |
CP0109915
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| Compound Name |
N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]carbamothioyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C27H22FN3O3S2
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| Molecular Weight |
519.623
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| Canonical SMILES |
Fc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H22FN3O3S2/c28-23-12-6-19(7-13-23)18-29-36(33,34)25-16-14-24(15-17-25)30-27(35)31-26(32)22-10-8-21(9-11-22)20-4-2-1-3-5-20/h1-17,29H,18H2,(H2,30,31,32,35)
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| InChIKey |
AZSDHWFPKGACIF-UHFFFAOYSA-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