General Information of the Compound
| Compound ID |
CP0427272
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| Compound Name |
[(6aR)-11-acetyloxy-9-bromo-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 |
C21H20BrNO4
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| Molecular Weight |
430.298
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| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1cc(Br)c(OC(C)=O)c(OC(C)=O)c-31
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| InChI |
InChI=1S/C21H20BrNO4/c1-11(24)26-20-16(22)9-14-10-17-18-13(7-8-23(17)3)5-4-6-15(18)19(14)21(20)27-12(2)25/h4-6,9,17H,7-8,10H2,1-3H3/t17-/m1/s1
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| InChIKey |
NXZVPWFCOOICMZ-QGZVFWFLSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor