General Information of the Compound
| Compound ID |
CP0557968
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| Compound Name |
US9199981, F85
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| Structure |
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| Formula |
C23H18F5N5O3
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| Molecular Weight |
507.419
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(COCC(F)(F)F)cn12)-c1noc(n1)C1CC1(F)F
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| InChI |
InChI=1S/C23H18F5N5O3/c1-12-2-4-14(19-31-21(36-32-19)15-7-22(15,24)25)6-16(12)30-20(34)17-8-29-18-5-3-13(9-33(17)18)10-35-11-23(26,27)28/h2-6,8-9,15H,7,10-11H2,1H3,(H,30,34)
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| InChIKey |
KCAZMKTVLQMKCC-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