General Information of the Compound
| Compound ID |
CP0906541
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| Compound Name |
US9187424, 271
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| Structure |
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| Formula |
C25H20F9N5O2
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| Molecular Weight |
593.45
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(CC(F)(F)F)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C25H20F9N5O2/c26-23(27,28)10-1-11-41-17-8-6-16(7-9-17)22(25(32,33)34)13-18(19(21(40)35-22)20-36-38-39-37-20)15-4-2-14(3-5-15)12-24(29,30)31/h2-9H,1,10-13H2,(H,35,40)(H,36,37,38,39)
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| InChIKey |
KRUAZAMGLAKYSZ-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