General Information of the Compound
| Compound ID |
CP0724306
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| Compound Name |
(S)-1-(4-(2,4-difluorophenylsulfonamido)cyclohexyl)-2-((S)-3-fluoropyrrolidin-1-yl)-2-oxoethanaminium chloride
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| Structure |
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| Formula |
C18H25ClF3N3O3S
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| Molecular Weight |
455.93
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| Canonical SMILES |
Cl.N[C@H](C(=O)N1CC[C@H](F)C1)C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C18H24F3N3O3S.ClH/c19-12-3-6-16(15(21)9-12)28(26,27)23-14-4-1-11(2-5-14)17(22)18(25)24-8-7-13(20)10-24;/h3,6,9,11,13-14,17,23H,1-2,4-5,7-8,10,22H2;1H/t11?,13-,14?,17-;/m0./s1
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| InChIKey |
AHSLUCGXSOQBKT-MEASGTRMSA-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