General Information of the Compound
| Compound ID |
CP0454437
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| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-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 |
C33H32FN3O4
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| Molecular Weight |
553.634
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C33H32FN3O4/c1-4-41-33(39)28-21-36(20-25-12-8-9-13-29(25)34)31-18-27(24-14-16-26(40-3)17-15-24)30(37(31)32(28)38)22-35(2)19-23-10-6-5-7-11-23/h5-18,21H,4,19-20,22H2,1-3H3
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| InChIKey |
SONSAZMDMSBBOG-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