General Information of the Compound
| Compound ID |
CP0495610
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| Compound Name |
US9598415, 15
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| Structure |
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| Formula |
C27H30N8O3S
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| Molecular Weight |
546.657
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(ncnc2C2CC2)C2CC2)nc1
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| InChI |
InChI=1S/C27H30N8O3S/c1-4-39(37,38)19-10-9-18(28-12-19)11-29-25-27(36)35(15(2)3)26-20(33-25)13-30-24(34-26)21-22(16-5-6-16)31-14-32-23(21)17-7-8-17/h9-10,12-17H,4-8,11H2,1-3H3,(H,29,33)
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| InChIKey |
JUOLLZCIXNWPMG-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