General Information of the Compound
| Compound ID |
CP0577446
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-methoxypyridin-4-yl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
COc1cc(ccn1)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
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| InChI |
InChI=1S/C19H22N4O3S/c1-13-16(6-5-14-7-8-20-17(11-14)25-2)27-19(22-13)23-18(24)21-9-10-26-12-15-3-4-15/h7-8,11,15H,3-4,9-10,12H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
XJLCEAQXUPZICS-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