General Information of the Compound
| Compound ID |
CP0921262
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| Compound Name |
(4aS,7R,12cS)-9-Bromo-7a,11-dihydroxy-4,4,7,12c-tetramethyl-1,2,3,4,4a,5,6,7,7a,12c-decahydro-8-oxa-dibenzo[a,h]azulen-10-one
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| Structure |
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| Formula |
C21H27BrO4
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| Molecular Weight |
423.347
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| Canonical SMILES |
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C3C=C(O)C(=O)C(Br)=C3OC21O
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| InChI |
InChI=1S/C21H27BrO4/c1-11-6-7-14-19(2,3)8-5-9-20(14,4)18-12-10-13(23)16(24)15(22)17(12)26-21(11,18)25/h10-11,14,23,25H,5-9H2,1-4H3/t11-,14+,20+,21?/m1/s1
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| InChIKey |
ZCVJDIGTJQUZTR-LAVRNSLPSA-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