General Information of the Compound
| Compound ID |
CP0552550
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| Compound Name |
4-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-2-(methylamino)propyl]amino]-5-chloro-2-fluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H21ClF2N4O2S2
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| Molecular Weight |
462.975
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| Canonical SMILES |
CN[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)CC12CC(C1)C2
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| InChI |
InChI=1S/C18H21ClF2N4O2S2/c1-22-11(7-18-4-10(5-18)6-18)8-23-14-3-13(20)15(2-12(14)19)29(26,27)25-17-24-9-16(21)28-17/h2-3,9-11,22-23H,4-8H2,1H3,(H,24,25)/t10?,11-,18?/m0/s1
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| InChIKey |
MUOSYWKLPIJDEM-PNSNSFJUSA-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