General Information of the Compound
| Compound ID |
CP0476650
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| Compound Name |
[(6aR)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c-31
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| InChI |
InChI=1S/C21H21NO4/c1-12(23)25-18-8-7-15-11-17-19-14(9-10-22(17)3)5-4-6-16(19)20(15)21(18)26-13(2)24/h4-8,17H,9-11H2,1-3H3/t17-/m1/s1
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| InChIKey |
PJAGGJPKGNYFJH-QGZVFWFLSA-N
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| CAS |
6191-56-6
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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