General Information of the Compound
| Compound ID |
CP0415551
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| Compound Name |
(6aS)-9-(2-fluoroethoxy)-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 |
C22H26FNO4
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| Molecular Weight |
387.451
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| Canonical SMILES |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1OCCF
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| InChI |
InChI=1S/C22H26FNO4/c1-24-7-5-13-10-19(26-3)22(27-4)21-15-12-17(25-2)18(28-8-6-23)11-14(15)9-16(24)20(13)21/h10-12,16H,5-9H2,1-4H3/t16-/m0/s1
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| InChIKey |
CTJRXEBAFHPXDV-INIZCTEOSA-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