General Information of the Compound
| Compound ID |
CP0437790
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
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| Structure |
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| Formula |
C36H36N4O3
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| Molecular Weight |
572.709
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4c(-c5ccccc5)n(C)c5ncccc45)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C36H36N4O3/c1-39-35(26-8-5-4-6-9-26)30(31-10-7-19-37-36(31)39)15-16-34(41)38-29-13-11-25(12-14-29)17-20-40-21-18-27-22-32(42-2)33(43-3)23-28(27)24-40/h4-16,19,22-23H,17-18,20-21,24H2,1-3H3,(H,38,41)/b16-15+
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| InChIKey |
IWVRAZGXUGXZDE-FOCLMDBBSA-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