General Information of the Compound
| Compound ID |
CP0512129
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| Compound Name |
US9216981, 22
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| Structure |
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| Formula |
C20H15F2N9O2S
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| Molecular Weight |
483.464
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C20H15F2N9O2S/c1-31-7-14(28-10-31)34(32,33)30-13-5-4-12(21)17(15(13)22)29-19-11(3-2-6-23-19)16-18-20(26-8-24-16)27-9-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)
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| InChIKey |
MGCDELBBUMYCBC-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