General Information of the Compound
| Compound ID |
CP0699956
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| Compound Name |
(2S,3S)-1-((S)-3-fluoropyrrolidin-1-yl)-3-(4-(N-methylacetamido)cyclohexyl)-1-oxobutan-2-aminium chloride
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| Structure |
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| Formula |
C17H31ClFN3O2
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| Molecular Weight |
363.905
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| Canonical SMILES |
CC(=O)N(C)C1CCC([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)CC1.Cl
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| InChI |
InChI=1S/C17H30FN3O2.ClH/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22;/h11,13-16H,4-10,19H2,1-3H3;1H/t11-,13?,14-,15?,16-;/m0./s1
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| InChIKey |
ILKWIICWNCOHIV-AWCXNFNGSA-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