General Information of the Compound
| Compound ID |
CP0463550
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| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-(1H-imidazol-4-yl)-propionic acid
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| Structure |
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| Formula |
C32H35N4O7P
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| Molecular Weight |
618.627
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| Canonical SMILES |
OC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H35N4O7P/c37-30(35-28(31(38)39)18-27-19-33-22-34-27)26(16-23-10-4-1-5-11-23)21-44(41,42)29(17-24-12-6-2-7-13-24)36-32(40)43-20-25-14-8-3-9-15-25/h1-15,19,22,26,28-29H,16-18,20-21H2,(H,33,34)(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26?,28?,29-/m1/s1
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| InChIKey |
OSYGUMDOKIEOQI-UYTNTSMZSA-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: PT01982, Endothelin-converting enzyme 1
Protein ID: PT01575, Neprilysin