General Information of the Compound
| Compound ID |
CP0497228
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| Compound Name |
4-((7-(quinolin-2-ylmethoxy)naphthalen-2-ylcarbamoyloxy)methyl)benzoic acid
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| Structure |
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| Formula |
C29H22N2O5
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| Molecular Weight |
478.504
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| Canonical SMILES |
OC(=O)c1ccc(COC(=O)Nc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
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| InChI |
InChI=1S/C29H22N2O5/c32-28(33)22-7-5-19(6-8-22)17-36-29(34)31-24-12-9-20-11-14-26(16-23(20)15-24)35-18-25-13-10-21-3-1-2-4-27(21)30-25/h1-16H,17-18H2,(H,31,34)(H,32,33)
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| InChIKey |
ZSAJKFANKIXZJV-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