General Information of the Compound
| Compound ID |
CP0569585
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| Compound Name |
1-[(2S)-2-(cyclobutylmethoxy)propyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C20H24N4O2S
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| Molecular Weight |
384.505
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| Canonical SMILES |
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1)OCC1CCC1
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| InChI |
InChI=1S/C20H24N4O2S/c1-14(26-13-17-4-3-5-17)12-22-19(25)24-20-23-15(2)18(27-20)7-6-16-8-10-21-11-9-16/h8-11,14,17H,3-5,12-13H2,1-2H3,(H2,22,23,24,25)/t14-/m0/s1
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| InChIKey |
JREFRLFRXGNNSQ-AWEZNQCLSA-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