General Information of the Compound
| Compound ID |
CP0138726
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| Compound Name |
1-[(2S)-2-(cyclopropylmethoxy)propyl]-3-[5-[2-(5,6-dimethylpyridin-3-yl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
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| Formula |
C21H26N4O2S
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| Molecular Weight |
398.532
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| Canonical SMILES |
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1
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| InChI |
InChI=1S/C21H26N4O2S/c1-13-9-18(11-22-15(13)3)7-8-19-16(4)24-21(28-19)25-20(26)23-10-14(2)27-12-17-5-6-17/h9,11,14,17H,5-6,10,12H2,1-4H3,(H2,23,24,25,26)/t14-/m0/s1
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| InChIKey |
OZANXNDKKYVVMJ-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