General Information of the Compound
| Compound ID |
CP0372920
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| Compound Name |
1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-(3-nitrophenyl)urea
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| Structure |
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| Formula |
C26H28N4O5
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| Molecular Weight |
476.533
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C26H28N4O5/c1-34-24-14-19-11-13-29(17-20(19)15-25(24)35-2)12-10-18-6-8-21(9-7-18)27-26(31)28-22-4-3-5-23(16-22)30(32)33/h3-9,14-16H,10-13,17H2,1-2H3,(H2,27,28,31)
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| InChIKey |
FVRYHYDWSRRHJD-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