General Information of the Compound
| Compound ID |
CP0352385
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| Compound Name |
2-[(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
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| Structure |
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| Formula |
C17H12ClF3N4O3S3
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| Molecular Weight |
508.956
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| Canonical SMILES |
FC(F)(F)c1nnc(NC(=O)CSc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C17H12ClF3N4O3S3/c18-10-5-7-11(8-6-10)31(27,28)25-12-3-1-2-4-13(12)29-9-14(26)22-16-24-23-15(30-16)17(19,20)21/h1-8,25H,9H2,(H,22,24,26)
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| InChIKey |
SZDJWDFFPBIUQC-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3