General Information of the Compound
| Compound ID |
CP0561147
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| Compound Name |
US9428456, 2.081
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| Structure |
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| Formula |
C25H31F3N4O2
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| Molecular Weight |
476.543
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| Canonical SMILES |
CC(C)CCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C25H31F3N4O2/c1-17(2)9-12-29-23(33)19-10-13-32(14-11-19)16-18-5-3-6-20(15-18)30-24(34)21-7-4-8-22(31-21)25(26,27)28/h3-8,15,17,19H,9-14,16H2,1-2H3,(H,29,33)(H,30,34)
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| InChIKey |
LTYKSTZBACYLQK-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