General Information of the Compound
| Compound ID |
CP0560469
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| Compound Name |
4-[[(2S)-2-amino-3-phenylpropyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Formula |
C18H18ClFN4O2S2
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| Molecular Weight |
440.953
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| Canonical SMILES |
N[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)Cc1ccccc1
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| InChI |
InChI=1S/C18H18ClFN4O2S2/c19-14-9-17(28(25,26)24-18-22-6-7-27-18)15(20)10-16(14)23-11-13(21)8-12-4-2-1-3-5-12/h1-7,9-10,13,23H,8,11,21H2,(H,22,24)/t13-/m0/s1
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| InChIKey |
RCEBIRBTJLDYSL-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