General Information of the Compound
| Compound ID |
CP0415664
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| Compound Name |
N-[3-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]phenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C35H39N3O7
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| Molecular Weight |
613.711
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CC(=O)c3cccc(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C35H39N3O7/c1-41-14-15-43-16-17-44-18-19-45-34-22-28-23-38(13-12-26(28)21-33(34)42-2)24-32(39)27-7-5-8-29(20-27)36-35(40)31-11-10-25-6-3-4-9-30(25)37-31/h3-11,20-22H,12-19,23-24H2,1-2H3,(H,36,40)
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| InChIKey |
FHTQFWISMHWYGV-UHFFFAOYSA-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