General Information of the Compound
| Compound ID |
CP0444674
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| Compound Name |
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoate
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| Formula |
C30H31N5O7
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| Molecular Weight |
573.606
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C30H31N5O7/c1-42-30(41)23(16-19-8-3-2-4-9-19)34-25(36)17-32-29(40)27(38)24-12-7-15-35(24)26(37)18-33-28(39)21-13-14-31-22-11-6-5-10-20(21)22/h2-6,8-11,13-14,23-24H,7,12,15-18H2,1H3,(H,32,40)(H,33,39)(H,34,36)/t23-,24-/m0/s1
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| InChIKey |
GDMZLJGRHWMFFR-ZEQRLZLVSA-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