General Information of the Compound
| Compound ID |
CP0724303
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| Compound Name |
trifluoro-acetate(1S,2S)-2-[4-(acetyl-methyl-amino)-phenyl]-1-((S)-3-fluoro-pyrrolidine-1-carbonyl)-propyl-ammonium
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| Structure |
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| Formula |
C19H25F4N3O4
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| Molecular Weight |
435.418
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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.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H24FN3O2.C2HF3O2/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;3-2(4,5)1(6)7/h4-7,11,14,16H,8-10,19H2,1-3H3;(H,6,7)/t11-,14-,16-;/m0./s1
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| InChIKey |
MRYZFDCGUDMFIO-PKODKHHRSA-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: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4