General Information of the Compound
| Compound ID |
CP0552186
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| Compound Name |
5-chloro-2-fluoro-4-[[(2S)-2-(methylamino)-3-phenylpropyl]amino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H19ClFN5O2S2
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| Molecular Weight |
455.968
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| Canonical SMILES |
CN[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncns1)Cc1ccccc1
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| InChI |
InChI=1S/C18H19ClFN5O2S2/c1-21-13(7-12-5-3-2-4-6-12)10-22-16-9-15(20)17(8-14(16)19)29(26,27)25-18-23-11-24-28-18/h2-6,8-9,11,13,21-22H,7,10H2,1H3,(H,23,24,25)/t13-/m0/s1
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| InChIKey |
AEZCDRTWBLVUDP-ZDUSSCGKSA-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: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha