General Information of the Compound
| Compound ID |
CP0399565
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| Compound Name |
(R)-2-Butoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
CCCCOc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1)c23
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| InChI |
InChI=1S/C21H25NO3/c1-3-4-9-25-15-10-14-7-8-22(2)17-11-13-5-6-18(23)21(24)20(13)16(12-15)19(14)17/h5-6,10,12,17,23-24H,3-4,7-9,11H2,1-2H3/t17-/m1/s1
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| InChIKey |
BYGOBYFAXDOLTN-QGZVFWFLSA-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