General Information of the Compound
| Compound ID |
CP0521400
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[(1R)-7-fluoro-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 |
C28H26F2O4
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| Molecular Weight |
464.508
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cc2CC[C@@H](Oc3cccc(c3)[C@@H](CC(O)=O)C3CC3)c2c(F)c1
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| InChI |
InChI=1S/C28H26F2O4/c1-33-20-8-9-24(29)23(14-20)19-11-18-7-10-26(28(18)25(30)13-19)34-21-4-2-3-17(12-21)22(15-27(31)32)16-5-6-16/h2-4,8-9,11-14,16,22,26H,5-7,10,15H2,1H3,(H,31,32)/t22-,26+/m0/s1
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| InChIKey |
YEOGORPDJWRGNB-BKMJKUGQSA-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