General Information of the Compound
| Compound ID |
CP0437559
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| Compound Name |
(E)-3-[6-(2-bromo-4-pyridin-2-ylphenoxy)pyridin-3-yl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C38H35BrN4O4
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| Molecular Weight |
691.626
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(cc5Br)-c5ccccn5)nc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C38H35BrN4O4/c1-45-35-22-28-17-20-43(25-30(28)23-36(35)46-2)19-16-26-6-11-31(12-7-26)42-37(44)14-8-27-9-15-38(41-24-27)47-34-13-10-29(21-32(34)39)33-5-3-4-18-40-33/h3-15,18,21-24H,16-17,19-20,25H2,1-2H3,(H,42,44)/b14-8+
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| InChIKey |
TWENHOBJZSCMJB-RIYZIHGNSA-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