General Information of the Compound
| Compound ID |
CP0490830
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| Compound Name |
US9216968, 16
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| Structure |
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| Formula |
C21H19F3N4O2
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| Molecular Weight |
416.403
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| Canonical SMILES |
Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCC1
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| InChI |
InChI=1S/C21H19F3N4O2/c1-11-25-17-10-13(9-15(18(17)26-11)20(30)27-12-5-4-6-12)28-19(29)14-7-2-3-8-16(14)21(22,23)24/h2-3,7-10,12H,4-6H2,1H3,(H,25,26)(H,27,30)(H,28,29)
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| InChIKey |
HOHZAEDXKUGTLQ-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