General Information of the Compound
| Compound ID |
CP0377211
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| Compound Name |
(2S)-1-[{(2S,4S)-5-Oxo-4-(2-oxo-2-(piperidin-1-yl)ethyl)pyrrolidine-2-yl}carbonyl]pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C17H24N4O3
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| Molecular Weight |
332.404
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| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCCC1
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| InChI |
InChI=1S/C17H24N4O3/c18-11-13-5-4-8-21(13)17(24)14-9-12(16(23)19-14)10-15(22)20-6-2-1-3-7-20/h12-14H,1-10H2,(H,19,23)/t12-,13-,14-/m0/s1
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| InChIKey |
KKGGFSCOYYBHAU-IHRRRGAJSA-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
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT01241, Prolyl endopeptidase FAP