General Information of the Compound
| Compound ID |
CP0516333
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| Compound Name |
(4-{2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propionylamino}-phenyl)-acetic acid
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| Structure |
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| Formula |
C31H26N2O4
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| Molecular Weight |
490.559
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| Canonical SMILES |
CC(C(=O)Nc1ccc(CC(O)=O)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
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| InChI |
InChI=1S/C31H26N2O4/c1-20(31(36)33-26-12-6-21(7-13-26)16-30(34)35)23-8-9-25-18-28(15-11-24(25)17-23)37-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,36)(H,34,35)
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| InChIKey |
ATPTYEVNGXTWTI-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