General Information of the Compound
| Compound ID |
CP0494841
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| Compound Name |
(4aS,7R,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-8-oxa-dibenzo[a,h]azulen-11-ol
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| Structure |
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| Formula |
C21H28O2
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| Molecular Weight |
312.453
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| Canonical SMILES |
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1ccc(O)cc21
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| InChI |
InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-12-14(22)7-8-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17+,21+/m1/s1
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| InChIKey |
IPVKAMBUMZEMPI-JRQSSSKMSA-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