General Information of the Compound
| Compound ID |
CP0528189
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| Compound Name |
4-(5-chloro-6-((2S)-2-(1- methylethyl)-1-pyrrolidinyl)-3- pyridinyl)-3-methoxy-N- (methylsulfonyl)benzamide
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| Structure |
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| Formula |
C21H26ClN3O4S
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| Molecular Weight |
451.976
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(N2CCC[C@H]2C(C)C)c(Cl)c1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H26ClN3O4S/c1-13(2)18-6-5-9-25(18)20-17(22)10-15(12-23-20)16-8-7-14(11-19(16)29-3)21(26)24-30(4,27)28/h7-8,10-13,18H,5-6,9H2,1-4H3,(H,24,26)/t18-/m0/s1
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| InChIKey |
POFCZXSWSQJBSJ-SFHVURJKSA-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