General Information of the Compound
| Compound ID |
CP0521405
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H28FNO4
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| Molecular Weight |
461.533
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cnc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
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| InChI |
InChI=1S/C28H28FNO4/c1-16(28(31)32)26(17-6-7-17)18-4-3-5-22(13-18)34-25-11-8-19-12-20(15-30-27(19)25)23-14-21(33-2)9-10-24(23)29/h3-5,9-10,12-17,25-26H,6-8,11H2,1-2H3,(H,31,32)/t16-,25+,26-/m0/s1
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| InChIKey |
FRLADTDOXTZZLI-HKFLSJHISA-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