General Information of the Compound
| Compound ID |
CP0421564
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| Compound Name |
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
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| Structure |
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| Formula |
C14H16ClN3O2S
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| Molecular Weight |
325.821
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| Canonical SMILES |
Cc1cnc(NC(=O)NCCOc2ccc(Cl)c(C)c2)s1
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| InChI |
InChI=1S/C14H16ClN3O2S/c1-9-7-11(3-4-12(9)15)20-6-5-16-13(19)18-14-17-8-10(2)21-14/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18,19)
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| InChIKey |
JNLASYKKHWVUGT-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