General Information of the Compound
| Compound ID |
CP0243951
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(5,6-dimethoxypyridin-3-yl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C20H24N4O4S
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| Molecular Weight |
416.503
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| Canonical SMILES |
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
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| InChI |
InChI=1S/C20H24N4O4S/c1-13-17(7-6-15-10-16(26-2)18(27-3)22-11-15)29-20(23-13)24-19(25)21-8-9-28-12-14-4-5-14/h10-11,14H,4-5,8-9,12H2,1-3H3,(H2,21,23,24,25)
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| InChIKey |
NXINHUNNPLATCI-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