General Information of the Compound
| Compound ID |
CP0495609
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| Compound Name |
US9598415, 52
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| Structure |
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| Formula |
C26H28N8O4S
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| Molecular Weight |
548.629
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C3CCC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C26H28N8O4S/c1-3-39(36,37)18-10-9-16(27-12-18)11-28-23-26(35)34(17-5-4-6-17)24-19(32-23)13-29-22(33-24)20-21(15-7-8-15)30-14-31-25(20)38-2/h9-10,12-15,17H,3-8,11H2,1-2H3,(H,28,32)
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| InChIKey |
AZLUKYYPAYOKPB-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