General Information of the Compound
| Compound ID |
CP0409415
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| Compound Name |
US9242977, 85-184
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| Structure |
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| Formula |
C28H22F6N8O2S
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| Molecular Weight |
648.593
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3ccc(n3)C(F)(F)F)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C28H22F6N8O2S/c1-2-10-35-26-38-15-22(45-26)16-3-6-19(7-4-16)44-25-36-13-18(14-37-25)39-24(43)40-20-12-17(27(29,30)31)5-8-21(20)42-11-9-23(41-42)28(32,33)34/h3-9,11-15H,2,10H2,1H3,(H,35,38)(H2,39,40,43)
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| InChIKey |
VPILWIPCBNVSTF-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