General Information of the Compound
| Compound ID |
CP0521401
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[(1R)-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C28H27FO4
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| Molecular Weight |
446.518
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C28H27FO4/c1-32-21-9-11-26(29)25(15-21)20-7-10-23-19(13-20)8-12-27(23)33-22-4-2-3-18(14-22)24(16-28(30)31)17-5-6-17/h2-4,7,9-11,13-15,17,24,27H,5-6,8,12,16H2,1H3,(H,30,31)/t24-,27+/m0/s1
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| InChIKey |
CABANSHLPAHFGC-RPLLCQBOSA-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