General Information of the Compound
| Compound ID |
CP0452720
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| Compound Name |
(R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-8-methyl-quinolin-4-ylamino]-propionic acid
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| Structure |
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| Formula |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
CCOc1ccccc1-c1ccc(cc1)-c1nc2c(C)cccc2c(N[C@H](C)C(O)=O)c1C#N
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| InChI |
InChI=1S/C28H25N3O3/c1-4-34-24-11-6-5-9-21(24)19-12-14-20(15-13-19)26-23(16-29)27(30-18(3)28(32)33)22-10-7-8-17(2)25(22)31-26/h5-15,18H,4H2,1-3H3,(H,30,31)(H,32,33)/t18-/m1/s1
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| InChIKey |
OHBKFBUYFLGXKA-GOSISDBHSA-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