General Information of the Compound
| Compound ID |
CP0928180
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| Compound Name |
US9187424, 235
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| Structure |
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| Formula |
C26H23F6N5O2
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| Molecular Weight |
551.491
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(C3CC3)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C26H23F6N5O2/c27-25(28,29)12-1-13-39-19-10-8-18(9-11-19)24(26(30,31)32)14-20(17-6-4-16(5-7-17)15-2-3-15)21(23(38)33-24)22-34-36-37-35-22/h4-11,15H,1-3,12-14H2,(H,33,38)(H,34,35,36,37)
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| InChIKey |
HHMOSGFOIUPTIM-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