General Information of the Compound
| Compound ID |
CP0485255
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| Compound Name |
1-[3-Cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-cyclopentanecarboxylic acid
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| Structure |
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| Formula |
C30H26FN3O3
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| Molecular Weight |
495.554
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC2(CCCC2)C(O)=O)c1C#N
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| InChI |
InChI=1S/C30H26FN3O3/c1-2-37-26-8-4-3-7-22(26)19-9-11-20(12-10-19)27-24(18-32)28(23-17-21(31)13-14-25(23)33-27)34-30(29(35)36)15-5-6-16-30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,33,34)(H,35,36)
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| InChIKey |
APVYAJFJTFKTEH-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