General Information of the Compound
| Compound ID |
CP0539541
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| Compound Name |
US9428456, 2.094
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| Structure |
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| Formula |
C23H27F3N4O2
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| Molecular Weight |
448.489
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| Canonical SMILES |
CCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C23H27F3N4O2/c1-2-11-27-21(31)17-9-12-30(13-10-17)15-16-5-3-6-18(14-16)28-22(32)19-7-4-8-20(29-19)23(24,25)26/h3-8,14,17H,2,9-13,15H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
OXIGTXFNGDQLCW-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