General Information of the Compound
| Compound ID |
CP0501275
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| Compound Name |
4-[3-cyano-2-(2'-ethoxy-2-methyl-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-butyric acid
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| Structure |
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| Formula |
C29H26FN3O3
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| Molecular Weight |
483.543
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1C)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
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| InChI |
InChI=1S/C29H26FN3O3/c1-3-36-26-8-5-4-7-22(26)21-12-10-19(15-18(21)2)28-24(17-31)29(32-14-6-9-27(34)35)23-16-20(30)11-13-25(23)33-28/h4-5,7-8,10-13,15-16H,3,6,9,14H2,1-2H3,(H,32,33)(H,34,35)
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| InChIKey |
ZBJDOHIXRMELIW-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