General Information of the Compound
| Compound ID |
CP0930750
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| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-hydroxy-butyric acid
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| Structure |
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| Formula |
C30H35N2O8P
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| Molecular Weight |
582.59
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| Canonical SMILES |
CC(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21?,25?,26-,27?/m1/s1
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| InChIKey |
FJFHRLOYVRDSRR-ITTRZIOUSA-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