General Information of the Compound
| Compound ID |
CP0553081
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| Compound Name |
US9598415, 141
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| Structure |
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| Formula |
C23H26N8O5S
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| Molecular Weight |
526.579
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(OC)ncnc2OC)nc1
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| InChI |
InChI=1S/C23H26N8O5S/c1-6-37(33,34)15-8-7-14(24-10-15)9-25-19-23(32)31(13(2)3)20-16(29-19)11-26-18(30-20)17-21(35-4)27-12-28-22(17)36-5/h7-8,10-13H,6,9H2,1-5H3,(H,25,29)
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| InChIKey |
LJJGSZBUDJPDAX-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