General Information of the Compound
| Compound ID |
CP0132938
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| Compound Name |
US9241942, 38-11
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| Structure |
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| Formula |
C13H11N5O2S
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| Molecular Weight |
301.331
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| Canonical SMILES |
COc1cc(cc(\C=N\C2N=NN=N2)c1O)-c1cccs1
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| InChI |
InChI=1S/C13H11N5O2S/c1-20-10-6-8(11-3-2-4-21-11)5-9(12(10)19)7-14-13-15-17-18-16-13/h2-7,13,19H,1H3/b14-7+
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| InChIKey |
WBBUIYIYNZEWHW-VGOFMYFVSA-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