General Information of the Compound
| Compound ID |
CP0704351
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| Compound Name |
(2S,3S)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxo-3-(4-(4-(trifluoromethoxy)phenylsulfonamido)cyclohexyl)butan-2-aminium chloride
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| Structure |
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| Formula |
C21H30ClF4N3O4S
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| Molecular Weight |
532
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| Canonical SMILES |
C[C@@H](C1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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| InChI |
InChI=1S/C21H29F4N3O4S.ClH/c1-13(19(26)20(29)28-11-10-15(22)12-28)14-2-4-16(5-3-14)27-33(30,31)18-8-6-17(7-9-18)32-21(23,24)25;/h6-9,13-16,19,27H,2-5,10-12,26H2,1H3;1H/t13-,14?,15-,16?,19-;/m0./s1
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| InChIKey |
GMMGPZXUOPZPNS-QXYSRPRQSA-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