General Information of the Compound
| Compound ID |
CP0524626
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-(3-methyl-5-pyridin-2-yl-2-pyridin-2-yloxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C39H38N4O4
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| Molecular Weight |
626.757
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4cc(cc(C)c4Oc4ccccn4)-c4ccccn4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C39H38N4O4/c1-27-22-31(34-8-4-6-18-40-34)23-30(39(27)47-38-9-5-7-19-41-38)12-15-37(44)42-33-13-10-28(11-14-33)16-20-43-21-17-29-24-35(45-2)36(46-3)25-32(29)26-43/h4-15,18-19,22-25H,16-17,20-21,26H2,1-3H3,(H,42,44)/b15-12+
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| InChIKey |
HLHAUNHFLVLUCN-NTCAYCPXSA-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