General Information of the Compound
| Compound ID |
CP0441481
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| Compound Name |
(R)-2-[3-cyano-2-(2'-ethoxy-3-fluoro-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-propionic acid
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| Structure |
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| Formula |
C27H21F2N3O3
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| Molecular Weight |
473.479
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(c(F)c1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
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| InChI |
InChI=1S/C27H21F2N3O3/c1-3-35-24-7-5-4-6-18(24)16-8-10-19(22(29)12-16)25-21(14-30)26(31-15(2)27(33)34)20-13-17(28)9-11-23(20)32-25/h4-13,15H,3H2,1-2H3,(H,31,32)(H,33,34)/t15-/m1/s1
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| InChIKey |
VFCIRWBTDSPGFT-OAHLLOKOSA-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