General Information of the Compound
| Compound ID |
CP0521402
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[2-fluoro-3-[[(1R)-5-(5-fluoro-2-methoxypyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H27F2NO4
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| Molecular Weight |
479.523
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc2[C@@H](CCc2c1)Oc1cccc([C@@H]([C@H](C)C(O)=O)C2CC2)c1F
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| InChI |
InChI=1S/C28H27F2NO4/c1-15(28(32)33)26(16-6-7-16)20-4-3-5-24(27(20)30)35-23-11-9-17-12-18(8-10-19(17)23)21-13-25(34-2)31-14-22(21)29/h3-5,8,10,12-16,23,26H,6-7,9,11H2,1-2H3,(H,32,33)/t15-,23+,26-/m0/s1
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| InChIKey |
OAVPZRNDRKRMCS-AQYHOGPUSA-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