General Information of the Compound
| Compound ID |
CP0372919
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C30H33N3O7
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| Molecular Weight |
547.608
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4cc(OC)c(OC)cc4[N+]([O-])=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H33N3O7/c1-37-26-15-21-12-14-32(19-23(21)17-28(26)39-3)13-11-20-5-8-24(9-6-20)31-30(34)10-7-22-16-27(38-2)29(40-4)18-25(22)33(35)36/h5-10,15-18H,11-14,19H2,1-4H3,(H,31,34)/b10-7+
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| InChIKey |
HJSBLJRBBRYJDI-JXMROGBWSA-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