General Information of the Compound
| Compound ID |
CP0471627
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| Compound Name |
ethyl 4-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]-2-hydroxybenzoate
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| Structure |
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| Formula |
C31H34FN3O3
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| Molecular Weight |
515.629
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1O)C1CCN(CCCCc2nc3ccccc3n2-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C31H34FN3O3/c1-2-38-31(37)26-15-10-23(21-29(26)36)22-16-19-34(20-17-22)18-6-5-9-30-33-27-7-3-4-8-28(27)35(30)25-13-11-24(32)12-14-25/h3-4,7-8,10-15,21-22,36H,2,5-6,9,16-20H2,1H3
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| InChIKey |
CYYGNFHTNGYTMY-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