General Information of the Compound
| Compound ID |
CP0473594
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| Compound Name |
N-[5-[2-[6-methoxy-7-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]-2-methylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C32H33N3O5
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| Molecular Weight |
539.632
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| Canonical SMILES |
COCCOc1cc2CN(CC(=O)c3ccc(C)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C32H33N3O5/c1-21-8-9-24(16-28(21)34-32(37)27-11-10-22-6-4-5-7-26(22)33-27)29(36)20-35-13-12-23-17-30(39-3)31(18-25(23)19-35)40-15-14-38-2/h4-11,16-18H,12-15,19-20H2,1-3H3,(H,34,37)
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| InChIKey |
SVUXSDWFHXQHGJ-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