General Information of the Compound
| Compound ID |
CP0431364
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| Compound Name |
1-Benzyl-8-cyano-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 ethyl ester
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| Structure |
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| Formula |
C34H33N5O4
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| Molecular Weight |
575.669
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H33N5O4/c1-4-43-34(41)29-22-38(21-24-10-6-5-7-11-24)32-28(20-35)31(25-13-15-27(42-3)16-14-25)30(39(32)33(29)40)23-37(2)19-17-26-12-8-9-18-36-26/h5-16,18,22H,4,17,19,21,23H2,1-3H3
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| InChIKey |
NMZYKPCHWVJCJF-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