General Information of the Compound
| Compound ID |
CP0508772
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| Compound Name |
(4aS,7R,12cS)-9-Bromo-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-8-oxa-dibenzo[a,h]azulen-10-ol
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| Structure |
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| Formula |
C21H27BrO2
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| Molecular Weight |
391.349
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| Canonical SMILES |
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(Br)c(O)ccc21
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| InChI |
InChI=1S/C21H27BrO2/c1-12-6-9-15-20(2,3)10-5-11-21(15,4)16-13-7-8-14(23)17(22)19(13)24-18(12)16/h7-8,12,15,23H,5-6,9-11H2,1-4H3/t12-,15+,21+/m1/s1
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| InChIKey |
QQBHOLDWCSMYKY-RKFVTTHHSA-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