General Information of the Compound
| Compound ID |
CP0544396
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| Compound Name |
US9428456, 1.249
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| Structure |
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| Formula |
C26H31ClF3N3O2
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| Molecular Weight |
510
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C26H31ClF3N3O2/c1-25(2,3)32-24(35)18-10-12-33(13-11-18)16-17-6-4-8-20(14-17)31-22(34)15-19-7-5-9-21(23(19)27)26(28,29)30/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,31,34)(H,32,35)
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| InChIKey |
ZVNAANFBWGYEBY-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