General Information of the Compound
| Compound ID |
CP0508770
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| Compound Name |
(4'S,6R)-6'-bromo-2,2,4',6-tetramethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-dibenzo[b,d]furan]-7',8'-diol
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| Structure |
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| Formula |
C21H27BrO3
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| Molecular Weight |
407.348
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| Canonical SMILES |
C[C@H]1CCC2([C@H](C)CCCC2(C)C)c2c1oc1c(Br)c(O)c(O)cc21
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| InChI |
InChI=1S/C21H27BrO3/c1-11-7-9-21(12(2)6-5-8-20(21,3)4)15-13-10-14(23)17(24)16(22)19(13)25-18(11)15/h10-12,23-24H,5-9H2,1-4H3/t11-,12+,21?/m0/s1
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| InChIKey |
PUQKUJIJCMJUNB-DORUZBFSSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform