General Information of the Compound
| Compound ID |
CP0493102
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| Compound Name |
4-(((7-(quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C29H23NO4
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| Molecular Weight |
449.506
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| Canonical SMILES |
OC(=O)c1ccc(COCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
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| InChI |
InChI=1S/C29H23NO4/c31-29(32)24-9-5-20(6-10-24)17-33-18-21-7-8-22-12-14-27(16-25(22)15-21)34-19-26-13-11-23-3-1-2-4-28(23)30-26/h1-16H,17-19H2,(H,31,32)
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| InChIKey |
FMGLZKFNKJDYEA-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