General Information of the Compound
| Compound ID |
CP0473128
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| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[6-(3-pyridin-2-ylphenoxy)pyridin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C38H36N4O4
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| Molecular Weight |
612.73
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5cccc(c5)-c5ccccn5)nc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C38H36N4O4/c1-44-35-23-29-18-21-42(26-31(29)24-36(35)45-2)20-17-27-9-13-32(14-10-27)41-37(43)15-11-28-12-16-38(40-25-28)46-33-7-5-6-30(22-33)34-8-3-4-19-39-34/h3-16,19,22-25H,17-18,20-21,26H2,1-2H3,(H,41,43)/b15-11+
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| InChIKey |
AJGWAABNSFMUOW-RVDMUPIBSA-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