General Information of the Compound
| Compound ID |
CP0578548
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| Compound Name |
US9428456, 4.011
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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)(C)NC(=O)C1(C)CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C25H31F3N4O2/c1-23(2,3)31-22(34)24(4)11-13-32(14-12-24)16-17-7-5-8-18(15-17)29-21(33)19-9-6-10-20(30-19)25(26,27)28/h5-10,15H,11-14,16H2,1-4H3,(H,29,33)(H,31,34)
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| InChIKey |
NHZWYHIQLGLMFJ-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