General Information of the Compound
| Compound ID |
CP0417859
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| Compound Name |
(2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl}-4-fluoropyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C20H20ClFN4O3
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| Molecular Weight |
418.856
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| Canonical SMILES |
F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1
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| InChI |
InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
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| InChIKey |
MLZSREQEKWMXEA-STECZYCISA-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