General Information of the Compound
| Compound ID |
CP0392041
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| Compound Name |
5-(3-Isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-4-methyl-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C16H15N3OS
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| Molecular Weight |
297.383
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| Canonical SMILES |
CC(C)n1c2cc(ccc2[nH]c1=O)-c1sc(cc1C)C#N
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| InChI |
InChI=1S/C16H15N3OS/c1-9(2)19-14-7-11(4-5-13(14)18-16(19)20)15-10(3)6-12(8-17)21-15/h4-7,9H,1-3H3,(H,18,20)
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| InChIKey |
GEBLNDHVMSYOKF-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