General Information of the Compound
| Compound ID |
CP0686265
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| Compound Name |
(2S,3S)-3-(4-(2,4-difluorophenylsulfonamido)cyclohexyl)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxobutan-2-aminium chloride
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| Structure |
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| Formula |
C20H29ClF3N3O3S
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| Molecular Weight |
483.984
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| Canonical SMILES |
C[C@@H](C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C20H28F3N3O3S.ClH/c1-12(19(24)20(27)26-9-8-15(22)11-26)13-2-5-16(6-3-13)25-30(28,29)18-7-4-14(21)10-17(18)23;/h4,7,10,12-13,15-16,19,25H,2-3,5-6,8-9,11,24H2,1H3;1H/t12-,13?,15-,16?,19-;/m0./s1
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| InChIKey |
SSJWNUXYAWJNSH-OGZDXTKKSA-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