General Information of the Compound
| Compound ID |
CP0542883
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| Compound Name |
methyl 4-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
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| Formula |
C45H48N6O8
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| Molecular Weight |
800.913
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CCc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C45H48N6O8/c1-54-20-21-57-22-23-58-24-25-59-43-28-35-29-50(19-17-33(35)27-42(43)55-2)18-16-31-8-12-36(13-9-31)51-30-41(48-49-51)34-10-14-37(45(53)56-3)40(26-34)47-44(52)39-15-11-32-6-4-5-7-38(32)46-39/h4-15,26-28,30H,16-25,29H2,1-3H3,(H,47,52)
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| InChIKey |
YIWXHIKHFPNMCO-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