General Information of the Compound
| Compound ID |
CP0516335
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| Compound Name |
4-(4-(4-(quinolin-2-ylmethoxy)benzylcarbamoyl)phenyl)butanoic acid
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| Structure |
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| Formula |
C28H26N2O4
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| Molecular Weight |
454.526
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| Canonical SMILES |
OC(=O)CCCc1ccc(cc1)C(=O)NCc1ccc(OCc2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C28H26N2O4/c31-27(32)7-3-4-20-8-12-23(13-9-20)28(33)29-18-21-10-16-25(17-11-21)34-19-24-15-14-22-5-1-2-6-26(22)30-24/h1-2,5-6,8-17H,3-4,7,18-19H2,(H,29,33)(H,31,32)
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| InChIKey |
ASIJUEKTYNGSNT-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