General Information of the Compound
Compound ID |
CP0566321
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Compound Name |
US9428456, 4.008
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Structure |
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Formula |
C26H30F4N4O2
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Molecular Weight |
506.544
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Canonical SMILES |
FC(F)(F)c1cccc(n1)C(=O)Nc1cccc(CN2CCC(F)(CC2)C(=O)NC2CCCCC2)c1
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InChI |
InChI=1S/C26H30F4N4O2/c27-25(24(36)32-19-7-2-1-3-8-19)12-14-34(15-13-25)17-18-6-4-9-20(16-18)31-23(35)21-10-5-11-22(33-21)26(28,29)30/h4-6,9-11,16,19H,1-3,7-8,12-15,17H2,(H,31,35)(H,32,36)
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InChIKey |
SQLZKBYXTBEEOV-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