General Information of the Compound
| Compound ID |
CP0423144
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| Compound Name |
5-chloro-2-fluoro-4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)-N-pyrimidin-4-ylbenzenesulfonamide
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| Structure |
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| Formula |
C18H21ClFN5O2S
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| Molecular Weight |
425.917
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| Canonical SMILES |
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ccncn1
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| InChI |
InChI=1S/C18H21ClFN5O2S/c19-13-9-16(28(26,27)24-17-3-6-21-12-23-17)14(20)10-15(13)22-11-18-4-1-7-25(18)8-2-5-18/h3,6,9-10,12,22H,1-2,4-5,7-8,11H2,(H,21,23,24)
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| InChIKey |
IATOIMGOUCQDRU-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