General Information of the Compound
| Compound ID |
CP0481549
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| Compound Name |
(6aS)-9-[(4-bromophenyl)methoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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| Structure |
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| Formula |
C27H28BrNO4
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| Molecular Weight |
510.428
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| Canonical SMILES |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1OCc1ccc(Br)cc1
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| InChI |
InChI=1S/C27H28BrNO4/c1-29-10-9-17-12-24(31-3)27(32-4)26-20-14-22(30-2)23(13-18(20)11-21(29)25(17)26)33-15-16-5-7-19(28)8-6-16/h5-8,12-14,21H,9-11,15H2,1-4H3/t21-/m0/s1
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| InChIKey |
UXLPSYHSQXWFAK-NRFANRHFSA-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