General Information of the Compound
| Compound ID |
CP0488947
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| Compound Name |
methyl 4-[1-[4-[[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
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| Formula |
C44H46N6O8
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| Molecular Weight |
786.886
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(Cc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C44H46N6O8/c1-53-18-19-56-20-21-57-22-23-58-42-26-34-28-49(17-16-32(34)25-41(42)54-2)27-30-8-12-35(13-9-30)50-29-40(47-48-50)33-10-14-36(44(52)55-3)39(24-33)46-43(51)38-15-11-31-6-4-5-7-37(31)45-38/h4-15,24-26,29H,16-23,27-28H2,1-3H3,(H,46,51)
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| InChIKey |
VSSBUXPZPYVRTL-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