General Information of the Compound
| Compound ID |
CP0117955
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| Compound Name |
(S)-N-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl)-1-naphthamide
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
O=C(CNC(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C18H17N3O2/c19-11-14-7-4-10-21(14)17(22)12-20-18(23)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2,(H,20,23)/t14-/m0/s1
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| InChIKey |
HSIDTMLTVRFYGR-AWEZNQCLSA-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
Protein ID: PT03315, Prolyl endopeptidase FAP