General Information of the Compound
| Compound ID |
CP0544360
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| Compound Name |
US9278960, 3-49
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| Structure |
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| Formula |
C25H22F4N4O3
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| Molecular Weight |
502.468
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| Canonical SMILES |
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(F)c2)cn1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F4N4O3/c1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-16-17(10-20(23(30)34)32-19(16)8-14)15-5-7-21(36-2)18(26)9-15/h4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34)
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| InChIKey |
VPXFPNMITJYXJS-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