General Information of the Compound
| Compound ID |
CP0327193
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylbutanamide
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| Structure |
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| Formula |
C12H19N3O2
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| Molecular Weight |
237.303
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| Canonical SMILES |
CC(C)CC(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C12H19N3O2/c1-9(2)6-11(16)14-8-12(17)15-5-3-4-10(15)7-13/h9-10H,3-6,8H2,1-2H3,(H,14,16)/t10-/m0/s1
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| InChIKey |
XCXDAEWFUWZUBU-JTQLQIEISA-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