General Information of the Compound
| Compound ID |
CP0486829
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| Compound Name |
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H13Cl2N5OS
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| Molecular Weight |
442.331
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H13Cl2N5OS/c21-15-6-3-13(9-16(15)22)17-10-29-20(26-17)27-19(28)12-1-4-14(5-2-12)25-18-7-8-23-11-24-18/h1-11H,(H,23,24,25)(H,26,27,28)
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| InChIKey |
HSYAEMYEWRBTOP-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