General Information of the Compound
| Compound ID |
CP0541694
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| Compound Name |
ethyl 3-[[benzyl-[2-oxo-2-(prop-2-ynylamino)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 |
C38H37F2N7O5
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| Molecular Weight |
709.754
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCC#C)Cc1ccccc1
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| InChI |
InChI=1S/C38H37F2N7O5/c1-4-19-42-33(48)24-45(20-25-11-8-7-9-12-25)23-32-34(26-15-17-27(18-16-26)43-37(51)41-5-2)44-38-46(21-28-30(39)13-10-14-31(28)40)22-29(35(49)47(32)38)36(50)52-6-3/h1,7-18,22H,5-6,19-21,23-24H2,2-3H3,(H,42,48)(H2,41,43,51)
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| InChIKey |
XPULMKWNGQNTJI-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