General Information of the Compound
| Compound ID |
CP0427984
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| Compound Name |
ethyl 3-[[benzyl-[2-oxo-2-[[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]amino]ethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C46H44F2N8O6
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| Molecular Weight |
842.904
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCC(=O)NCC#Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C46H44F2N8O6/c1-3-49-45(61)52-34-22-20-33(21-23-34)42-39(56-43(59)36(44(60)62-4-2)28-55(46(56)53-42)27-35-37(47)18-11-19-38(35)48)29-54(26-32-15-9-6-10-16-32)30-41(58)51-25-40(57)50-24-12-17-31-13-7-5-8-14-31/h5-11,13-16,18-23,28H,3-4,24-27,29-30H2,1-2H3,(H,50,57)(H,51,58)(H2,49,52,61)
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| InChIKey |
RLFBLGBPLPVNPV-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