General Information of the Compound
| Compound ID |
CP0384380
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-6-fluoro-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C29H28F2O4
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| Molecular Weight |
478.535
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cc2CC[C@@H](Oc3cccc(c3)[C@@H]([C@H](C)C(O)=O)C3CC3)c2cc1F
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| InChI |
InChI=1S/C29H28F2O4/c1-16(29(32)33)28(17-6-7-17)19-4-3-5-21(12-19)35-27-11-8-18-13-23(26(31)15-22(18)27)24-14-20(34-2)9-10-25(24)30/h3-5,9-10,12-17,27-28H,6-8,11H2,1-2H3,(H,32,33)/t16-,27+,28-/m0/s1
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| InChIKey |
YAABYOOBHDSLPO-JMUVHQMNSA-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