General Information of the Compound
| Compound ID |
CP0448614
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| Compound Name |
8-Cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid dicyclopropylmethyl ester
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| Structure |
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| Formula |
C39H38FN5O4
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| Molecular Weight |
659.762
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| Canonical SMILES |
COc1ccc(cc1)-c1c(CN(C)CCc2ccccn2)n2c(c1C#N)n(Cc1ccccc1F)cc(C(=O)OC(C1CC1)C1CC1)c2=O
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| InChI |
InChI=1S/C39H38FN5O4/c1-43(20-18-29-8-5-6-19-42-29)24-34-35(25-14-16-30(48-2)17-15-25)31(21-41)37-44(22-28-7-3-4-9-33(28)40)23-32(38(46)45(34)37)39(47)49-36(26-10-11-26)27-12-13-27/h3-9,14-17,19,23,26-27,36H,10-13,18,20,22,24H2,1-2H3
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| InChIKey |
CSEQSALABAVZMY-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