General Information of the Compound
| Compound ID |
CP0555728
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| Compound Name |
1-[(2R)-2-(cyclopropylmethoxy)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 |
C19H22N4O2S
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| Molecular Weight |
370.478
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| Canonical SMILES |
C[C@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1)OCC1CC1
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| InChI |
InChI=1S/C19H22N4O2S/c1-13(25-12-16-3-4-16)11-21-18(24)23-19-22-14(2)17(26-19)6-5-15-7-9-20-10-8-15/h7-10,13,16H,3-4,11-12H2,1-2H3,(H2,21,22,23,24)/t13-/m1/s1
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| InChIKey |
MUCBGWQDHLDMPA-CYBMUJFWSA-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