General Information of the Compound
| Compound ID |
CP0518676
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| Compound Name |
US9428456, 1.332
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| Structure |
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| Formula |
C26H33F3N4O2
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| Molecular Weight |
490.57
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| Canonical SMILES |
CCc1ccc(NC(=O)c2cccc(n2)C(F)(F)F)cc1CN1CCC(CC1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C26H33F3N4O2/c1-5-17-9-10-20(30-24(35)21-7-6-8-22(31-21)26(27,28)29)15-19(17)16-33-13-11-18(12-14-33)23(34)32-25(2,3)4/h6-10,15,18H,5,11-14,16H2,1-4H3,(H,30,35)(H,32,34)
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| InChIKey |
JMJBCXMFTDQBBH-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