General Information of the Compound
| Compound ID |
CP0222410
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| Compound Name |
(S)-2-((4-(3-(2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)-2H-chromen-7-yloxy)propoxy)phenyl)methyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C33H35F3O5
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| Molecular Weight |
568.632
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3C(=CC(C)(C)Oc3c2)c2cccc(c2)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C33H35F3O5/c1-5-32(4,30(37)38)20-22-10-12-25(13-11-22)39-16-7-17-40-26-14-15-27-28(21-31(2,3)41-29(27)19-26)23-8-6-9-24(18-23)33(34,35)36/h6,8-15,18-19,21H,5,7,16-17,20H2,1-4H3,(H,37,38)/t32-/m0/s1
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| InChIKey |
DIHQIJDSDBQRKU-YTTGMZPUSA-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