General Information of the Compound
| Compound ID |
CP0507782
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| Compound Name |
US9242977, 85-225
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| Structure |
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| Formula |
C26H26F3N7O4S2
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| Molecular Weight |
621.667
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3S(=O)(=O)N(C)C)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C26H26F3N7O4S2/c1-4-11-30-25-33-15-21(41-25)16-5-8-19(9-6-16)40-24-31-13-18(14-32-24)34-23(37)35-20-12-17(26(27,28)29)7-10-22(20)42(38,39)36(2)3/h5-10,12-15H,4,11H2,1-3H3,(H,30,33)(H2,34,35,37)
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| InChIKey |
IVRDNDPVGALWJM-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