General Information of the Compound
| Compound ID |
CP0450006
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| Compound Name |
US8802711, 42
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| Structure |
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| Formula |
C20H19F3N4O
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| Molecular Weight |
388.393
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C20H19F3N4O/c21-20(22,23)14-7-4-12(5-8-14)13-6-9-15(10-13)25-19(28)26-17-2-1-3-18-16(17)11-24-27-18/h1-5,7-8,11,13,15H,6,9-10H2,(H,24,27)(H2,25,26,28)/t13-,15+/m0/s1
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| InChIKey |
NKALKRMYMAIVGL-DZGCQCFKSA-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