General Information of the Compound
| Compound ID |
CP0866649
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| Compound Name |
(1R,2S,5S)-3-((2S,3R)-2-Amino-3-methylpentanoyl)-3-azabicyclo[3.1.0]hexane-2-carbonitrile 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C14H20F3N3O3
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| Molecular Weight |
335.326
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| Canonical SMILES |
CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2[C@H]1C#N.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C12H19N3O.C2HF3O2/c1-3-7(2)11(14)12(16)15-6-8-4-9(8)10(15)5-13;3-2(4,5)1(6)7/h7-11H,3-4,6,14H2,1-2H3;(H,6,7)/t7-,8-,9-,10-,11+;/m1./s1
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| InChIKey |
QKWIRXQSMSQMFS-AJPVDBLTSA-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