General Information of the Compound
| Compound ID |
CP0373318
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| Compound Name |
ethyl 3-[[[2-[[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]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 |
C46H53F2N13O8
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| Molecular Weight |
954.009
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)Cc1ccccc1
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| InChI |
InChI=1S/C46H53F2N13O8/c1-3-50-45(65)53-34-15-13-33(14-16-34)42-40(61-43(63)37(44(64)69-4-2)29-59(46(61)54-42)28-36-38(47)11-8-12-39(36)48)30-58(26-32-9-6-5-7-10-32)31-41(62)51-25-35-27-60(57-55-35)18-20-67-22-24-68-23-21-66-19-17-52-56-49/h5-16,27,29H,3-4,17-26,28,30-31H2,1-2H3,(H,51,62)(H2,50,53,65)
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| InChIKey |
AWEPLDCHTFPUBQ-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