General Information of the Compound
| Compound ID |
CP0564746
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| Compound Name |
1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C19H18F2N6OS
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| Molecular Weight |
416.457
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| Canonical SMILES |
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1ccncc1
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| InChI |
InChI=1S/C19H18F2N6OS/c1-13-16(3-2-14-4-7-22-8-5-14)29-19(25-13)26-18(28)23-9-6-15-10-27(12-24-15)11-17(20)21/h4-5,7-8,10,12,17H,6,9,11H2,1H3,(H2,23,25,26,28)
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| InChIKey |
CKBJWCVSRMYIAA-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