General Information of the Compound
| Compound ID |
CP0508771
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| Compound Name |
(4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-8-oxa-dibenzo[a,h]azulene
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| Structure |
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| Formula |
C22H29BrO2
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| Molecular Weight |
405.376
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| Canonical SMILES |
COc1ccc2c3c(oc2c1Br)[C@H](C)CC[C@H]1C(C)(C)CCC[C@]31C
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| InChI |
InChI=1S/C22H29BrO2/c1-13-7-10-16-21(2,3)11-6-12-22(16,4)17-14-8-9-15(24-5)18(23)20(14)25-19(13)17/h8-9,13,16H,6-7,10-12H2,1-5H3/t13-,16+,22+/m1/s1
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| InChIKey |
BVANDEYLFYDUIB-DHZVRSILSA-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