General Information of the Compound
| Compound ID |
CP0059051
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| Compound Name |
1-hydroxy-1-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)urea
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| Synonyms |
A-80040
BDBM50189633
CHEMBL378186
SCHEMBL16705052
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| Structure |
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| Formula |
C20H17N3O4S
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| Molecular Weight |
395.44
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| Canonical SMILES |
CC(C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1)N(O)C(N)=O
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| InChI |
InChI=1S/C20H17N3O4S/c1-14(23(25)19(21)24)7-12-18-13-22-20(28-18)27-17-10-8-16(9-11-17)26-15-5-3-2-4-6-15/h2-6,8-11,13-14,25H,1H3,(H2,21,24)
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| InChIKey |
MCMUCDFOFIZPSA-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
Clinical Information about the Compound