General Information of the Compound
| Compound ID |
CP0440881
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| Compound Name |
[(6aR)-11-acetyloxy-9-(3-methoxyphenyl)-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 |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
COc1cccc(c1)-c1cc2C[C@H]3N(C)CCc4cccc(c34)-c2c(OC(C)=O)c1OC(C)=O
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| InChI |
InChI=1S/C28H27NO5/c1-16(30)33-27-23(19-8-5-9-21(13-19)32-4)14-20-15-24-25-18(11-12-29(24)3)7-6-10-22(25)26(20)28(27)34-17(2)31/h5-10,13-14,24H,11-12,15H2,1-4H3/t24-/m1/s1
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| InChIKey |
YLFXLCQTWLPWCT-XMMPIXPASA-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