General Information of the Compound
| Compound ID |
CP0496386
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| Compound Name |
8-Cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid tetrahydro-furan-3-yl ester
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| Structure |
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| Formula |
C36H34FN5O5
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| Molecular Weight |
635.696
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| Canonical SMILES |
COc1ccc(cc1)-c1c(CN(C)CCc2ccccn2)n2c(c1C#N)n(Cc1ccccc1F)cc(C(=O)OC1CCOC1)c2=O
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| InChI |
InChI=1S/C36H34FN5O5/c1-40(17-14-26-8-5-6-16-39-26)22-32-33(24-10-12-27(45-2)13-11-24)29(19-38)34-41(20-25-7-3-4-9-31(25)37)21-30(35(43)42(32)34)36(44)47-28-15-18-46-23-28/h3-13,16,21,28H,14-15,17-18,20,22-23H2,1-2H3
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| InChIKey |
YYXLBWIDMLZERV-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