General Information of the Compound
| Compound ID |
CP0415663
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| Compound Name |
N-[5-[(E)-3-[4-[2-[6-methoxy-7-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]phenyl]prop-2-enoyl]-2-methylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C41H41N3O6
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| Molecular Weight |
671.794
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| Canonical SMILES |
COCCOc1cc2CN(CCOc3ccc(\C=C\C(=O)c4ccc(C)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC
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| InChI |
InChI=1S/C41H41N3O6/c1-28-8-12-32(24-37(28)43-41(46)36-16-13-30-6-4-5-7-35(30)42-36)38(45)17-11-29-9-14-34(15-10-29)49-21-20-44-19-18-31-25-39(48-3)40(26-33(31)27-44)50-23-22-47-2/h4-17,24-26H,18-23,27H2,1-3H3,(H,43,46)/b17-11+
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| InChIKey |
CNQFLCKBTDAFCS-GZTJUZNOSA-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