General Information of the Compound
| Compound ID |
CP0487460
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| Compound Name |
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C28H30N4O6
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| Molecular Weight |
518.57
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| Canonical SMILES |
COc1ccc(CCNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC
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| InChI |
InChI=1S/C28H30N4O6/c1-37-23-10-9-18(16-24(23)38-2)11-13-30-28(36)26(34)22-8-5-15-32(22)25(33)17-31-27(35)20-12-14-29-21-7-4-3-6-19(20)21/h3-4,6-7,9-10,12,14,16,22H,5,8,11,13,15,17H2,1-2H3,(H,30,36)(H,31,35)/t22-/m0/s1
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| InChIKey |
HPIBKLMNZIHAGI-QFIPXVFZSA-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