General Information of the Compound
| Compound ID |
CP0457920
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| Compound Name |
N-[3-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C19H12Cl2N6OS
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| Molecular Weight |
443.319
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1nsc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C19H12Cl2N6OS/c20-14-6-3-12(9-15(14)21)17-25-19(29-27-17)26-18(28)11-1-4-13(5-2-11)24-16-7-8-22-10-23-16/h1-10H,(H,22,23,24)(H,25,26,27,28)
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| InChIKey |
YGKYJAZXSUKXJM-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