General Information of the Compound
| Compound ID |
CP0527487
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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 isopropyl ester
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| Structure |
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| Formula |
C35H34FN5O4
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| Molecular Weight |
607.686
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| Canonical SMILES |
COc1ccc(cc1)-c1c(CN(C)CCc2ccccn2)n2c(c1C#N)n(Cc1ccccc1F)cc(C(=O)OC(C)C)c2=O
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| InChI |
InChI=1S/C35H34FN5O4/c1-23(2)45-35(43)29-21-40(20-25-9-5-6-11-30(25)36)33-28(19-37)32(24-12-14-27(44-4)15-13-24)31(41(33)34(29)42)22-39(3)18-16-26-10-7-8-17-38-26/h5-15,17,21,23H,16,18,20,22H2,1-4H3
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| InChIKey |
MAZZXZLCOHJYLY-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