General Information of the Compound
| Compound ID |
CP0412836
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| Compound Name |
N-[5-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]-2-methylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C36H41N3O7
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| Molecular Weight |
627.738
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CC(=O)c3ccc(C)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C36H41N3O7/c1-25-8-9-28(20-32(25)38-36(41)31-11-10-26-6-4-5-7-30(26)37-31)33(40)24-39-13-12-27-21-34(43-3)35(22-29(27)23-39)46-19-18-45-17-16-44-15-14-42-2/h4-11,20-22H,12-19,23-24H2,1-3H3,(H,38,41)
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| InChIKey |
UPRVZXUMLTVXBV-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