General Information of the Compound
| Compound ID |
CP0435353
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| Compound Name |
[(6aR)-11-acetyloxy-6-methyl-9-propan-2-yl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
CC(C)c1cc2C[C@H]3N(C)CCc4cccc(c34)-c2c(OC(C)=O)c1OC(C)=O
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| InChI |
InChI=1S/C24H27NO4/c1-13(2)19-11-17-12-20-21-16(9-10-25(20)5)7-6-8-18(21)22(17)24(29-15(4)27)23(19)28-14(3)26/h6-8,11,13,20H,9-10,12H2,1-5H3/t20-/m1/s1
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| InChIKey |
KFEHEEITVOEJOF-HXUWFJFHSA-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