General Information of the Compound
| Compound ID |
CP0490585
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| Compound Name |
US9598415, 103
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| Structure |
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| Formula |
C25H28N8O3S2
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| Molecular Weight |
552.686
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| Canonical SMILES |
CCS(=O)(=O)c1cnc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)s1
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| InChI |
InChI=1S/C25H28N8O3S2/c1-4-38(35,36)19-11-26-18(37-19)10-28-23-25(34)33(14(3)15-5-6-15)24-17(31-23)9-27-22(32-24)20-13(2)29-12-30-21(20)16-7-8-16/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,28,31)/t14-/m0/s1
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| InChIKey |
TWKWAFCIHQUXAW-AWEZNQCLSA-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