General Information of the Compound
| Compound ID |
CP0382144
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| Compound Name |
2-(N-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]anilino)acetic acid
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| Structure |
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| Formula |
C32H24FN3O3
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| Molecular Weight |
517.56
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N(CC(O)=O)c2ccccc2)c1C#N
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| InChI |
InChI=1S/C32H24FN3O3/c1-2-39-29-11-7-6-10-25(29)21-12-14-22(15-13-21)31-27(19-34)32(26-18-23(33)16-17-28(26)35-31)36(20-30(37)38)24-8-4-3-5-9-24/h3-18H,2,20H2,1H3,(H,37,38)
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| InChIKey |
VOLNDMYSCVVZFU-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