General Information of the Compound
| Compound ID |
CP0905288
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| Compound Name |
N-((5-(2-(benzo[d]thiazol-2-ylamino)-2-oxoethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C23H18N6O2S3
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| Molecular Weight |
506.638
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| Canonical SMILES |
O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C23H18N6O2S3/c30-20(26-22-25-16-9-4-5-10-17(16)34-22)14-33-23-28-27-19(29(23)15-7-2-1-3-8-15)13-24-21(31)18-11-6-12-32-18/h1-12H,13-14H2,(H,24,31)(H,25,26,30)
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| InChIKey |
SWDDXANZOGTUEB-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