General Information of the Compound
| Compound ID |
CP0377219
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| Compound Name |
(2S)-1-({(2S,4S)-4-[2-[4-(Pyridine-4-yl)-piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C21H26N6O3/c22-14-17-2-1-7-27(17)21(30)18-12-15(20(29)24-18)13-19(28)26-10-8-25(9-11-26)16-3-5-23-6-4-16/h3-6,15,17-18H,1-2,7-13H2,(H,24,29)/t15-,17-,18-/m0/s1
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| InChIKey |
KZHXFLLBTVQFGL-SZMVWBNQSA-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