General Information of the Compound
| Compound ID |
CP0571582
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| Compound Name |
5-chloro-4-[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Formula |
C20H22ClFN4O2S2
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| Molecular Weight |
469.007
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| Canonical SMILES |
CN(C)[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)Cc1ccccc1
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| InChI |
InChI=1S/C20H22ClFN4O2S2/c1-26(2)15(10-14-6-4-3-5-7-14)13-24-18-12-17(22)19(11-16(18)21)30(27,28)25-20-23-8-9-29-20/h3-9,11-12,15,24H,10,13H2,1-2H3,(H,23,25)/t15-/m0/s1
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| InChIKey |
DTWJLCLIHGBXAC-HNNXBMFYSA-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