General Information of the Compound
| Compound ID |
CP0159827
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| Compound Name |
(S)-2-((4-(3-(6-chloro-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yloxy)propoxy)phenyl)methyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C25H24ClF3O6
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| Molecular Weight |
512.908
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(c3cc2Cl)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-9-4-10-34-21-13-20-17(11-19(21)26)18(25(27,28)29)12-22(30)35-20/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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| InChIKey |
CWUURBSFHNKTIB-DEOSSOPVSA-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