General Information of the Compound
| Compound ID |
CP0411546
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| Compound Name |
5-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]carbamoyl]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C19H20N4O3S
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| Molecular Weight |
384.461
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| Canonical SMILES |
OC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C19H20N4O3S/c24-17(15-7-8-16(27-15)18(25)26)21-19-20-13-5-1-2-6-14(13)23(19)12-11-22-9-3-4-10-22/h1-2,5-8H,3-4,9-12H2,(H,25,26)(H,20,21,24)
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| InChIKey |
WBYHRCNDAGVNMJ-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