General Information of the Compound
| Compound ID |
CP0415665
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| Compound Name |
N-[3-[(E)-3-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]phenyl]prop-2-enoyl]phenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C44H47N3O8
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| Molecular Weight |
745.873
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CCOc3ccc(\C=C\C(=O)c4cccc(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC
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| InChI |
InChI=1S/C44H47N3O8/c1-50-22-23-52-24-25-53-26-27-55-43-30-36-31-47(19-18-34(36)29-42(43)51-2)20-21-54-38-14-10-32(11-15-38)12-17-41(48)35-7-5-8-37(28-35)45-44(49)40-16-13-33-6-3-4-9-39(33)46-40/h3-17,28-30H,18-27,31H2,1-2H3,(H,45,49)/b17-12+
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| InChIKey |
BEPASUUKMXNKTI-SFQUDFHCSA-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