General Information of the Compound
| Compound ID |
CP0206990
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| Compound Name |
5-methyl-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C18H15N3O2S
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| Molecular Weight |
337.404
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| Canonical SMILES |
Cc1ccc2oc(cc2c1)C(=O)N(Cc1cccs1)c1ccn[nH]1
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| InChI |
InChI=1S/C18H15N3O2S/c1-12-4-5-15-13(9-12)10-16(23-15)18(22)21(17-6-7-19-20-17)11-14-3-2-8-24-14/h2-10H,11H2,1H3,(H,19,20)
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| InChIKey |
YSZRJGGWSOGQPW-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