General Information of the Compound
| Compound ID |
CP0247315
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| Compound Name |
4-[4-chloro-2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]phenoxy]-3-cyano-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C24H21ClN6O3S2
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| Molecular Weight |
541.058
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| Canonical SMILES |
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C24H21ClN6O3S2/c1-2-30-12-18(13-30)31-21(7-8-28-31)20-10-17(25)3-5-23(20)34-22-6-4-19(9-16(22)11-26)36(32,33)29-24-14-35-15-27-24/h3-10,14-15,18,29H,2,12-13H2,1H3
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| InChIKey |
OGBDDOBYHJYBFF-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: PT02267, Sodium channel protein type 1 subunit alpha
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT03042, Sodium channel protein type 3 subunit alpha
Protein ID: PT03043, Sodium channel protein type 4 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Protein ID: PT04404, Sodium channel protein type 9 subunit alpha