General Information of the Compound
| Compound ID |
CP0403720
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| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-succinic acid
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| Structure |
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| Formula |
C30H33N2O9P
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| Molecular Weight |
596.573
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| Canonical SMILES |
OC(=O)CC(NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C30H33N2O9P/c33-27(34)18-25(29(36)37)31-28(35)24(16-21-10-4-1-5-11-21)20-42(39,40)26(17-22-12-6-2-7-13-22)32-30(38)41-19-23-14-8-3-9-15-23/h1-15,24-26H,16-20H2,(H,31,35)(H,32,38)(H,33,34)(H,36,37)(H,39,40)/t24?,25?,26-/m1/s1
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| InChIKey |
LTWCQNHNPOIIHO-NRUKRLKBSA-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