General Information of the Compound
| Compound ID |
CP0512046
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| Compound Name |
(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C13H21N3O
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| Molecular Weight |
235.331
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| Canonical SMILES |
C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1
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| InChI |
InChI=1S/C13H21N3O/c1-10-6-7-12(8-14)16(10)13(17)9-15-11-4-2-3-5-11/h10-12,15H,2-7,9H2,1H3/t10-,12-/m0/s1
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| InChIKey |
GSVYWUKPDSZURO-JQWIXIFHSA-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