General Information of the Compound
| Compound ID |
CP0897755
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| Compound Name |
(2S,5S)-1-L-leucyl-5-methylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C12H21N3O
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| Molecular Weight |
223.32
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C#N
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| InChI |
InChI=1S/C12H21N3O/c1-8(2)6-11(14)12(16)15-9(3)4-5-10(15)7-13/h8-11H,4-6,14H2,1-3H3/t9-,10+,11+/m1/s1
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| InChIKey |
XAPWGIWPMYCPRT-VWYCJHECSA-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