General Information of the Compound
| Compound ID |
CP0442533
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| Compound Name |
US9216968, 42
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| Structure |
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| Formula |
C25H19F6N5O3
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| Molecular Weight |
551.447
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H19F6N5O3/c1-39-12-20-35-18-10-13(34-23(38)14-5-2-3-6-16(14)24(26,27)28)9-15(21(18)36-20)22(37)33-11-19-17(25(29,30)31)7-4-8-32-19/h2-10H,11-12H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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| InChIKey |
OCWBLCXBLHFGAD-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