General Information of the Compound
| Compound ID |
CP0159826
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| Compound Name |
(S)-2-methyl-2-((4-(3-(8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yloxy)propoxy)phenyl)methyl)butanoic acid
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| Structure |
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| Formula |
C26H27F3O6
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| Molecular Weight |
492.49
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2C)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C26H27F3O6/c1-4-25(3,24(31)32)15-17-6-8-18(9-7-17)33-12-5-13-34-21-11-10-19-20(26(27,28)29)14-22(30)35-23(19)16(21)2/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
DUYSLKPVWQFSOB-VWLOTQADSA-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