General Information of the Compound
| Compound ID |
CP0247320
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| Compound Name |
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H12ClN7O3S2
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| Molecular Weight |
473.927
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| Canonical SMILES |
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H12ClN7O3S2/c19-11-1-3-16(13(6-11)14-8-23-25-17(14)21)29-15-4-2-12(5-10(15)7-20)31(27,28)26-18-22-9-24-30-18/h1-6,8-9H,(H3,21,23,25)(H,22,24,26)
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| InChIKey |
DQMMXAIHRCDFHS-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