General Information of the Compound
| Compound ID |
CP0400847
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| Compound Name |
(6aS)-1,2,10-trimethoxy-6-methyl-9-pentoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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| Structure |
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| Formula |
C25H33NO4
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| Molecular Weight |
411.542
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| Canonical SMILES |
CCCCCOc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
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| InChI |
InChI=1S/C25H33NO4/c1-6-7-8-11-30-21-14-17-12-19-23-16(9-10-26(19)2)13-22(28-4)25(29-5)24(23)18(17)15-20(21)27-3/h13-15,19H,6-12H2,1-5H3/t19-/m0/s1
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| InChIKey |
ZHQLARXYURPMMU-IBGZPJMESA-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