General Information of the Compound
| Compound ID |
CP0391451
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| Compound Name |
(E)-3-[6-(3-cyano-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 |
C39H35N5O4
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| Molecular Weight |
637.74
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(-c6ccccn6)c(c5)C#N)nc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C39H35N5O4/c1-46-36-22-29-17-20-44(26-31(29)23-37(36)47-2)19-16-27-6-10-32(11-7-27)43-38(45)14-8-28-9-15-39(42-25-28)48-33-12-13-34(30(21-33)24-40)35-5-3-4-18-41-35/h3-15,18,21-23,25H,16-17,19-20,26H2,1-2H3,(H,43,45)/b14-8+
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| InChIKey |
YXRXEFGONUMTKW-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