General Information of the Compound
| Compound ID |
CP0406910
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| Compound Name |
US9346798, 105
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| Structure |
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| Formula |
C19H18ClN3O4S2
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| Molecular Weight |
451.957
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| Canonical SMILES |
COc1cc(Cl)ccc1N1C[C@@H](C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H18ClN3O4S2/c1-12-11-23(15-5-3-13(20)9-17(15)26-2)16-6-4-14(10-18(16)27-12)29(24,25)22-19-21-7-8-28-19/h3-10,12H,11H2,1-2H3,(H,21,22)/t12-/m1/s1
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| InChIKey |
MLHVNNQJJGKNCL-GFCCVEGCSA-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