General Information of the Compound
| Compound ID |
CP0410511
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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 cyclohexylamide
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| Structure |
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| Formula |
C40H45FN6O3
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| Molecular Weight |
676.837
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NC3CCCCC3)c(=O)n2c1CN(C)CCc1ccccn1
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| InChI |
InChI=1S/C40H45FN6O3/c1-3-11-37(48)43-32-19-17-28(18-20-32)33-24-38-46(25-29-12-7-8-16-35(29)41)26-34(39(49)44-31-14-5-4-6-15-31)40(50)47(38)36(33)27-45(2)23-21-30-13-9-10-22-42-30/h7-10,12-13,16-20,22,24,26,31H,3-6,11,14-15,21,23,25,27H2,1-2H3,(H,43,48)(H,44,49)
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| InChIKey |
DLRXDIPMXJSRQO-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