General Information of the Compound
| Compound ID |
CP0557909
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| Compound Name |
2-[3-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]carbamoyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
OC(=O)COc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C22H24N4O4/c27-20(28)15-30-17-7-5-6-16(14-17)21(29)24-22-23-18-8-1-2-9-19(18)26(22)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2,(H,27,28)(H,23,24,29)
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| InChIKey |
OOIOJHGTQKYDBE-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