General Information of the Compound
| Compound ID |
CP0507852
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(2-nitrophenoxy)acetamide
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| Structure |
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| Formula |
C27H29N3O6
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| Molecular Weight |
491.544
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)COc4ccccc4[N+]([O-])=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C27H29N3O6/c1-34-25-15-20-12-14-29(17-21(20)16-26(25)35-2)13-11-19-7-9-22(10-8-19)28-27(31)18-36-24-6-4-3-5-23(24)30(32)33/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,28,31)
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| InChIKey |
CJHWDSXWAYHSKN-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