General Information of the Compound
| Compound ID |
CP0383918
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| Compound Name |
N-[5-[(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]-2-methylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C45H49N3O8
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| Molecular Weight |
759.9
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CCOc3ccc(\C=C\C(=O)c4ccc(C)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC
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| InChI |
InChI=1S/C45H49N3O8/c1-32-8-12-36(28-41(32)47-45(50)40-16-13-34-6-4-5-7-39(34)46-40)42(49)17-11-33-9-14-38(15-10-33)55-21-20-48-19-18-35-29-43(52-3)44(30-37(35)31-48)56-27-26-54-25-24-53-23-22-51-2/h4-17,28-30H,18-27,31H2,1-3H3,(H,47,50)/b17-11+
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| InChIKey |
FBWYHBQNGJJBFG-GZTJUZNOSA-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