General Information of the Compound
| Compound ID |
CP0419523
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| Compound Name |
US9346798, 117
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| Structure |
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| Formula |
C17H13N5O3S2
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| Molecular Weight |
399.457
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1cncc(c1)C#N
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| InChI |
InChI=1S/C17H13N5O3S2/c18-9-12-7-13(11-19-10-12)22-4-5-25-16-8-14(1-2-15(16)22)27(23,24)21-17-20-3-6-26-17/h1-3,6-8,10-11H,4-5H2,(H,20,21)
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| InChIKey |
XMHOASOCNUSOPA-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