General Information of the Compound
| Compound ID |
CP0497942
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| Compound Name |
5-acetyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C20H22N4O2S
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| Molecular Weight |
382.489
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| Canonical SMILES |
CC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26)
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| InChIKey |
TXZZDRODLKKDLE-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