General Information of the Compound
| Compound ID |
CP0520533
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| Compound Name |
US9216968, 51
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| Structure |
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| Formula |
C26H20F6N4O2
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| Molecular Weight |
534.46
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| Canonical SMILES |
CCn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C26H20F6N4O2/c1-2-36-14-34-22-18(23(37)33-13-15-7-3-5-9-19(15)25(27,28)29)11-16(12-21(22)36)35-24(38)17-8-4-6-10-20(17)26(30,31)32/h3-12,14H,2,13H2,1H3,(H,33,37)(H,35,38)
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| InChIKey |
JTERZCWERHEHNP-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