General Information of the Compound
| Compound ID |
CP0564202
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| Compound Name |
US9428456, 4.017
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| Structure |
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| Formula |
C24H28F4N4O2
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| Molecular Weight |
480.506
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ccc2F)CC1
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| InChI |
InChI=1S/C24H28F4N4O2/c1-23(2,3)31-21(33)15-9-11-32(12-10-15)14-16-13-17(7-8-18(16)25)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-8,13,15H,9-12,14H2,1-3H3,(H,29,34)(H,31,33)
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| InChIKey |
XGYNFAMAMOJDJX-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