General Information of the Compound
| Compound ID |
CP0378293
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| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-8-cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C34H31FN4O4
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| Molecular Weight |
578.644
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H31FN4O4/c1-4-43-34(41)28-21-38(20-25-12-8-9-13-29(25)35)32-27(18-36)31(24-14-16-26(42-3)17-15-24)30(39(32)33(28)40)22-37(2)19-23-10-6-5-7-11-23/h5-17,21H,4,19-20,22H2,1-3H3
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| InChIKey |
LKDKLQFYRMRYMV-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