General Information of the Compound
| Compound ID |
CP0466004
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| Compound Name |
N-[5-[(E)-3-[4-[2-(6,7-dimethoxy-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 |
C39H37N3O5
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| Molecular Weight |
627.741
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| Canonical SMILES |
COc1cc2CCN(CCOc3ccc(\C=C\C(=O)c4ccc(C)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C39H37N3O5/c1-26-8-12-30(22-35(26)41-39(44)34-16-13-28-6-4-5-7-33(28)40-34)36(43)17-11-27-9-14-32(15-10-27)47-21-20-42-19-18-29-23-37(45-2)38(46-3)24-31(29)25-42/h4-17,22-24H,18-21,25H2,1-3H3,(H,41,44)/b17-11+
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| InChIKey |
DXMOQFVAZKJXOO-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