General Information of the Compound
| Compound ID |
CP0500377
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| Compound Name |
7-(4-Amino-phenyl)-6-[(benzyl-methyl-amino)-methyl]-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid 1-ethyl-propyl ester
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| Structure |
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| Formula |
C35H37FN4O3
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| Molecular Weight |
580.704
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| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(N)cc1
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| InChI |
InChI=1S/C35H37FN4O3/c1-4-28(5-2)43-35(42)30-22-39(21-26-13-9-10-14-31(26)36)33-19-29(25-15-17-27(37)18-16-25)32(40(33)34(30)41)23-38(3)20-24-11-7-6-8-12-24/h6-19,22,28H,4-5,20-21,23,37H2,1-3H3
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| InChIKey |
VJPLLPRJJWJKBP-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