General Information of the Compound
| Compound ID |
CP0530741
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| Compound Name |
bis[(1S)-6,7-dimethoxy-1-propyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C29H40N2O5
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| Molecular Weight |
496.648
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| Canonical SMILES |
CCC[C@@H]1N(CCc2cc(OC)c(OC)cc12)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCC
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| InChI |
InChI=1S/C29H40N2O5/c1-7-9-23-21-17-27(35-5)25(33-3)15-19(21)11-13-30(23)29(32)31-14-12-20-16-26(34-4)28(36-6)18-22(20)24(31)10-8-2/h15-18,23-24H,7-14H2,1-6H3/t23-,24-/m0/s1
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| InChIKey |
FLFPPCULBPXIQZ-ZEQRLZLVSA-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