General Information of the Compound
| Compound ID |
CP0529072
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| Compound Name |
(4aS,11cS)-9,10-Dihydroxy-4,4,11c-trimethyl-1,2,3,4,4a,5,6,11c-octahydro-benzo[b]naphtho[1,2-d]furan-8-carboxylic acid amide
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| Structure |
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
CC1(C)CCC[C@@]2(C)[C@H]1CCc1oc3c(C(N)=O)c(O)c(O)cc3c21
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| InChI |
InChI=1S/C20H25NO4/c1-19(2)7-4-8-20(3)13(19)6-5-12-15(20)10-9-11(22)16(23)14(18(21)24)17(10)25-12/h9,13,22-23H,4-8H2,1-3H3,(H2,21,24)/t13-,20-/m0/s1
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| InChIKey |
DMLBHPHELLAETA-RBZFPXEDSA-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