General Information of the Compound
| Compound ID |
CP0507636
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| Compound Name |
3-(2-((7-(quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
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| Structure |
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| Formula |
C30H25NO4
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| Molecular Weight |
463.533
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| Canonical SMILES |
OC(=O)c1cccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)c1
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| InChI |
InChI=1S/C30H25NO4/c32-30(33)25-6-3-4-21(16-25)14-15-34-19-22-8-9-23-11-13-28(18-26(23)17-22)35-20-27-12-10-24-5-1-2-7-29(24)31-27/h1-13,16-18H,14-15,19-20H2,(H,32,33)
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| InChIKey |
UDMFIQHJTZBXAI-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