General Information of the Compound
| Compound ID |
CP0077216
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| Compound Name |
US8618114, 1.2.11(1)
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| Structure |
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| Formula |
C14H15N5O2S
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| Molecular Weight |
317.374
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| Canonical SMILES |
CNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C14H15N5O2S/c1-9-8-11(15)19-14(17-9)12(13(16-2)18-19)22(20,21)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3,(H,16,18)
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| InChIKey |
UKQMQTGGUNTZKM-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