General Information of the Compound
| Compound ID |
CP0885371
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| Compound Name |
(2S,3R)-2-amino-1-(3-ethylpyrrolidin-1-yl)-3-methylpentan-1-one 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C14H25F3N2O3
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| Molecular Weight |
326.359
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| Canonical SMILES |
CCC1CCN(C(=O)[C@@H](N)[C@H](C)CC)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C12H24N2O.C2HF3O2/c1-4-9(3)11(13)12(15)14-7-6-10(5-2)8-14;3-2(4,5)1(6)7/h9-11H,4-8,13H2,1-3H3;(H,6,7)/t9-,10?,11+;/m1./s1
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| InChIKey |
BDWICZGZUPJWIU-UHVCZCIOSA-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