General Information of the Compound
| Compound ID |
CP0530774
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| Compound Name |
US10022352, Compound 320
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| Structure |
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| Formula |
C23H21F3N2O4
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| Molecular Weight |
446.425
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| Canonical SMILES |
CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2[nH]1
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| InChI |
InChI=1S/C23H21F3N2O4/c1-21(2,11-29)19-8-12-7-16(14(24)10-15(12)27-19)28-20(30)22(5-6-22)13-3-4-17-18(9-13)32-23(25,26)31-17/h3-4,7-10,27,29H,5-6,11H2,1-2H3,(H,28,30)
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| InChIKey |
MQJGSSWIJFYXBO-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