General Information of the Compound
| Compound ID |
CP0269713
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-[(4-nitrobenzoyl)amino]benzamide
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| Structure |
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| Formula |
C33H32N4O6
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| Molecular Weight |
580.641
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C33H32N4O6/c1-42-30-19-24-16-18-36(21-25(24)20-31(30)43-2)17-15-22-7-11-26(12-8-22)34-33(39)28-5-3-4-6-29(28)35-32(38)23-9-13-27(14-10-23)37(40)41/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H,35,38)
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| InChIKey |
KNHAPSGCAQJAPG-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