General Information of the Compound
| Compound ID |
CP0560920
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-methyl-5-(2-quinolin-4-ylethynyl)-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C22H22N4O2S
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| Molecular Weight |
406.511
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| Canonical SMILES |
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc2ccccc12
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| InChI |
InChI=1S/C22H22N4O2S/c1-15-20(9-8-17-10-11-23-19-5-3-2-4-18(17)19)29-22(25-15)26-21(27)24-12-13-28-14-16-6-7-16/h2-5,10-11,16H,6-7,12-14H2,1H3,(H2,24,25,26,27)
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| InChIKey |
ZCTFYANDQMYEIS-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