General Information of the Compound
| Compound ID |
CP0456015
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| Compound Name |
US9216968, 227
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| Structure |
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| Formula |
C22H17F3N4O3S
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| Molecular Weight |
474.464
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccs1
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| InChI |
InChI=1S/C22H17F3N4O3S/c1-32-11-17-27-16-10-12(26-20(30)13-5-2-3-6-15(13)22(23,24)25)9-14(19(16)28-17)21(31)29-18-7-4-8-33-18/h2-10H,11H2,1H3,(H,26,30)(H,27,28)(H,29,31)
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| InChIKey |
SKSKFWZYKNCQOW-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