General Information of the Compound
| Compound ID |
CP0475526
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| Compound Name |
bis[(1S)-6,7-dimethoxy-1-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C43H40N2O5
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| Molecular Weight |
664.802
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3ccc4ccccc4c3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc2ccccc2c1
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| InChI |
InChI=1S/C43H40N2O5/c1-47-37-23-31-17-19-44(41(35(31)25-39(37)49-3)33-15-13-27-9-5-7-11-29(27)21-33)43(46)45-20-18-32-24-38(48-2)40(50-4)26-36(32)42(45)34-16-14-28-10-6-8-12-30(28)22-34/h5-16,21-26,41-42H,17-20H2,1-4H3/t41-,42-/m0/s1
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| InChIKey |
YODFGSNZPZOOIP-COCZKOEFSA-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