General Information of the Compound
| Compound ID |
CP0561910
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| Compound Name |
US9428456, 1.230
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| Structure |
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| Formula |
C24H29F3N4O2
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| Molecular Weight |
462.516
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(c3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C24H29F3N4O2/c1-23(2,3)30-22(33)17-7-9-31(10-8-17)15-16-5-4-6-20(11-16)29-21(32)18-12-19(14-28-13-18)24(25,26)27/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,29,32)(H,30,33)
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| InChIKey |
TULARJHXONUZOE-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