General Information of the Compound
| Compound ID |
CP0384382
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[2-fluoro-3-[[(1R)-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)-c1ccc2[C@@H](CCc2c1)Oc1cccc([C@@H]([C@H](C)C(O)=O)C2CC2)c1F
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| InChI |
InChI=1S/C29H28F2O4/c1-16(29(32)33)27(17-6-7-17)22-4-3-5-26(28(22)31)35-25-13-9-18-14-19(8-11-21(18)25)23-15-20(34-2)10-12-24(23)30/h3-5,8,10-12,14-17,25,27H,6-7,9,13H2,1-2H3,(H,32,33)/t16-,25+,27-/m0/s1
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| InChIKey |
BWUHDYHQKFGZTQ-FQICASNESA-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