General Information of the Compound
| Compound ID |
CP0501100
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| Compound Name |
7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid butylamide
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| Structure |
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| Formula |
C38H43FN6O3
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| Molecular Weight |
650.799
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| Canonical SMILES |
CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(NC(=O)CCC)cc1
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| InChI |
InChI=1S/C38H43FN6O3/c1-4-6-20-41-37(47)32-25-44(24-28-12-7-8-14-33(28)39)36-23-31(27-15-17-30(18-16-27)42-35(46)11-5-2)34(45(36)38(32)48)26-43(3)22-19-29-13-9-10-21-40-29/h7-10,12-18,21,23,25H,4-6,11,19-20,22,24,26H2,1-3H3,(H,41,47)(H,42,46)
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| InChIKey |
JWRZHINGGASFEC-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