General Information of the Compound
| Compound ID |
CP0385162
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| Compound Name |
US9079902, 34
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| Structure |
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| Formula |
C18H13N5O2S2
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| Molecular Weight |
395.469
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| Canonical SMILES |
Cn1cc(-c2cccc(c2)C#N)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H13N5O2S2/c1-23-10-16(13-4-2-3-12(7-13)9-19)15-6-5-14(8-17(15)23)27(24,25)22-18-20-11-21-26-18/h2-8,10-11H,1H3,(H,20,21,22)
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| InChIKey |
NWRHDFNHLJGYFM-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha