General Information of the Compound
| Compound ID |
CP0436307
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| Compound Name |
ethyl 3-[[benzyl-[2-oxo-2-[4-(3-phenylprop-2-ynylcarbamoyl)piperidin-1-yl]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 |
C50H50F2N8O6
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| Molecular Weight |
896.996
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N1CCC(CC1)C(=O)NCC#Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C50H50F2N8O6/c1-3-53-49(65)55-38-22-20-36(21-23-38)45-43(60-47(63)40(48(64)66-4-2)31-59(50(60)56-45)30-39-41(51)18-11-19-42(39)52)32-57(29-35-15-9-6-10-16-35)33-44(61)58-27-24-37(25-28-58)46(62)54-26-12-17-34-13-7-5-8-14-34/h5-11,13-16,18-23,31,37H,3-4,24-30,32-33H2,1-2H3,(H,54,62)(H2,53,55,65)
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| InChIKey |
BJZYOOMSBNWZAU-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