General Information of the Compound
Compound ID |
CP0477958
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Compound Name |
US9315498, 143
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Structure |
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Formula |
C19H19FN4O
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Molecular Weight |
338.386
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Canonical SMILES |
CCN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
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InChI |
InChI=1S/C19H19FN4O/c1-4-24-18(25)23(13-19(24,2)3)17-21-11-15(12-22-17)6-5-14-7-9-16(20)10-8-14/h7-12H,4,13H2,1-3H3
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InChIKey |
ZMDJNRFXUKMNMO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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