General Information of the Compound
| Compound ID |
CP0555993
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-methyl-5-[2-[6-(trifluoromethyl)pyridin-3-yl]ethynyl]-1,3-thiazol-2-yl]urea
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| Formula |
C19H19F3N4O2S
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| Molecular Weight |
424.448
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| Canonical SMILES |
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N4O2S/c1-12-15(6-4-13-5-7-16(24-10-13)19(20,21)22)29-18(25-12)26-17(27)23-8-9-28-11-14-2-3-14/h5,7,10,14H,2-3,8-9,11H2,1H3,(H2,23,25,26,27)
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| InChIKey |
DUYRCFZGJRAQKZ-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