General Information of the Compound
| Compound ID |
CP0577410
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| Compound Name |
US9598415, 201
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| Structure |
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| Formula |
C28H32N8O3S
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| Molecular Weight |
560.684
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| Canonical SMILES |
CCCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C28H32N8O3S/c1-4-11-40(38,39)21-10-9-20(29-13-21)12-30-26-28(37)36(17(3)18-5-6-18)27-22(34-26)14-31-25(35-27)23-16(2)32-15-33-24(23)19-7-8-19/h9-10,13-15,17-19H,4-8,11-12H2,1-3H3,(H,30,34)/t17-/m0/s1
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| InChIKey |
OMYCGFXMCDDHSG-KRWDZBQOSA-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