General Information of the Compound
| Compound ID |
CP0422700
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| Compound Name |
N-[2-[(2S)-2-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
Cc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c(C)c1
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| InChI |
InChI=1S/C27H28N4O4/c1-17-9-10-19(18(2)14-17)15-29-27(35)25(33)23-8-5-13-31(23)24(32)16-30-26(34)21-11-12-28-22-7-4-3-6-20(21)22/h3-4,6-7,9-12,14,23H,5,8,13,15-16H2,1-2H3,(H,29,35)(H,30,34)/t23-/m0/s1
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| InChIKey |
XWCBNLXORASGHM-QHCPKHFHSA-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: PT00907, Dipeptidyl peptidase 4
Protein ID: PT01241, Prolyl endopeptidase FAP