General Information of the Compound
| Compound ID |
CP0451873
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| Compound Name |
methyl 4-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]carbamoyl]benzoate
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C22H24N4O3/c1-29-21(28)17-10-8-16(9-11-17)20(27)24-22-23-18-6-2-3-7-19(18)26(22)15-14-25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,24,27)
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| InChIKey |
OXUOKMOVKIGHHN-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