General Information of the Compound
| Compound ID |
CP0795528
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| Compound Name |
(S)-2-((4-(3-(6-chloro-2,2-dimethyl-4-(trifluoromethyl)-2H-chromen-7-yloxy)propoxy)phenyl)methyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C26H28ClF3O5
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| Molecular Weight |
512.952
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| Canonical SMILES |
CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)cc2O1
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| InChI |
InChI=1S/C26H28ClF3O5/c1-24(2,23(31)32)14-16-6-8-17(9-7-16)33-10-5-11-34-22-13-21-18(12-20(22)27)19(26(28,29)30)15-25(3,4)35-21/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H,31,32)
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| InChIKey |
WLJCQVWVVZSGTI-UHFFFAOYSA-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