General Information of the Compound
| Compound ID |
CP0459998
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| Compound Name |
methyl 4-[4-[[6,7-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
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| Structure |
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| Formula |
C48H57N3O11
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| Molecular Weight |
851.994
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| Canonical SMILES |
COCCOCCOCCOc1cc2CCN(Cc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OCCOCCOCCOC
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| InChI |
InChI=1S/C48H57N3O11/c1-54-18-20-57-22-24-59-26-28-61-45-31-39-16-17-51(34-40(39)32-46(45)62-29-27-60-25-23-58-21-19-55-2)33-35-8-10-36(11-9-35)38-12-14-41(48(53)56-3)44(30-38)50-47(52)43-15-13-37-6-4-5-7-42(37)49-43/h4-15,30-32H,16-29,33-34H2,1-3H3,(H,50,52)
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| InChIKey |
APJIEKPFCVXORR-UHFFFAOYSA-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