General Information of the Compound
Compound ID |
CP0963707
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Compound Name |
(2S,3R)-2-Amino-3-methyl-1-(pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)pentan-1-one 2,2,2-trifluoroacetate
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Structure |
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Formula |
C13H19F3N4O3
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Molecular Weight |
336.314
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Canonical SMILES |
CC[C@@H](C)[C@H](N)C(=O)N1Cc2cn[nH]c2C1.O=C(O)C(F)(F)F
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InChI |
InChI=1S/C11H18N4O.C2HF3O2/c1-3-7(2)10(12)11(16)15-5-8-4-13-14-9(8)6-15;3-2(4,5)1(6)7/h4,7,10H,3,5-6,12H2,1-2H3,(H,13,14);(H,6,7)/t7-,10+;/m1./s1
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InChIKey |
JBGKAVICNMPDMD-QJVKKXMWSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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