General Information of the Compound
| Compound ID |
CP0516334
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| Compound Name |
4-(4-(6-(quinolin-2-ylmethoxy)-2-naphthamido)phenyl)butanoic 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 |
OC(=O)CCCc1ccc(NC(=O)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1
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| InChI |
InChI=1S/C31H26N2O4/c34-30(35)7-3-4-21-8-14-26(15-9-21)33-31(36)25-11-10-24-19-28(17-13-23(24)18-25)37-20-27-16-12-22-5-1-2-6-29(22)32-27/h1-2,5-6,8-19H,3-4,7,20H2,(H,33,36)(H,34,35)
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| InChIKey |
SXHYJLCGLCKWHR-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