General Information of the Compound
| Compound ID |
CP0558861
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| Compound Name |
US9598415, 142
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| Structure |
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| Formula |
C25H29N9O3S
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| Molecular Weight |
535.634
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(C)nc(N)nc2C2CC2)nc1
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| InChI |
InChI=1S/C25H29N9O3S/c1-5-38(36,37)17-9-8-16(27-11-17)10-28-22-24(35)34(13(2)3)23-18(31-22)12-29-21(33-23)19-14(4)30-25(26)32-20(19)15-6-7-15/h8-9,11-13,15H,5-7,10H2,1-4H3,(H,28,31)(H2,26,30,32)
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| InChIKey |
KUWVWBSVANGLBC-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