General Information of the Compound
| Compound ID |
CP0902618
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| Compound Name |
1-Benzo[b]thiophen-5-yl-3-(3-methyl-isoxazol-5-yl)-urea
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| Structure |
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| Formula |
C13H11N3O2S
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| Molecular Weight |
273.317
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| Canonical SMILES |
Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1
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| InChI |
InChI=1S/C13H11N3O2S/c1-8-6-12(18-16-8)15-13(17)14-10-2-3-11-9(7-10)4-5-19-11/h2-7H,1H3,(H2,14,15,17)
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| InChIKey |
YBZGYBAAFHXSCI-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