General Information of the Compound
| Compound ID |
CP0174047
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| Compound Name |
8-Cyano-7-(4-cyclopentyloxy-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 cyclopentyl ester
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| Structure |
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| Formula |
C41H42FN5O4
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| Molecular Weight |
687.816
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| Canonical SMILES |
CN(CCc1ccccn1)Cc1c(c(C#N)c2n(Cc3ccccc3F)cc(C(=O)OC3CCCC3)c(=O)n12)-c1ccc(OC2CCCC2)cc1
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| InChI |
InChI=1S/C41H42FN5O4/c1-45(23-21-30-11-8-9-22-44-30)27-37-38(28-17-19-33(20-18-28)50-31-12-3-4-13-31)34(24-43)39-46(25-29-10-2-7-16-36(29)42)26-35(40(48)47(37)39)41(49)51-32-14-5-6-15-32/h2,7-11,16-20,22,26,31-32H,3-6,12-15,21,23,25,27H2,1H3
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| InChIKey |
BJIUDYSNIPRIDK-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