General Information of the Compound
| Compound ID |
CP0204852
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| Compound Name |
4-[4-chloro-2-[3-(methylamino)-1,2-benzoxazol-5-yl]phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H14ClF2N5O4S2
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| Molecular Weight |
549.968
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| Canonical SMILES |
CNc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C22H14ClF2N5O4S2/c1-26-21-14-6-11(2-4-18(14)34-29-21)13-7-12(23)3-5-17(13)33-19-8-16(25)20(9-15(19)24)36(31,32)30-22-27-10-28-35-22/h2-10H,1H3,(H,26,29)(H,27,28,30)
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| InChIKey |
TZPJMFCRZHDJLH-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