General Information of the Compound
| Compound ID |
CP0517076
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| Compound Name |
(4S)-5-methoxy-5-oxo-4-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]pentanoic acid
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| Formula |
C26H29N5O9
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| Molecular Weight |
555.544
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| Canonical SMILES |
COC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C26H29N5O9/c1-40-26(39)18(8-9-22(34)35)30-20(32)13-28-25(38)23(36)19-7-4-12-31(19)21(33)14-29-24(37)16-10-11-27-17-6-3-2-5-15(16)17/h2-3,5-6,10-11,18-19H,4,7-9,12-14H2,1H3,(H,28,38)(H,29,37)(H,30,32)(H,34,35)/t18-,19-/m0/s1
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| InChIKey |
RXWIVBLHVJRQTG-OALUTQOASA-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