General Information of the Compound
| Compound ID |
CP0515174
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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 ethyl ester
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| Structure |
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| Formula |
C36H38FN5O4
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| Molecular Weight |
623.729
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OCC)c(=O)n2c1CN(C)CCc1ccccn1
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| InChI |
InChI=1S/C36H38FN5O4/c1-4-10-33(43)39-28-16-14-25(15-17-28)29-21-34-41(22-26-11-6-7-13-31(26)37)23-30(36(45)46-5-2)35(44)42(34)32(29)24-40(3)20-18-27-12-8-9-19-38-27/h6-9,11-17,19,21,23H,4-5,10,18,20,22,24H2,1-3H3,(H,39,43)
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| InChIKey |
MFTBZXGBGMFYDU-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