General Information of the Compound
| Compound ID |
CP0480613
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| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-phenyl-propionic acid
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| Structure |
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| Formula |
C35H37N2O7P
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| Molecular Weight |
628.662
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| Canonical SMILES |
OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C35H37N2O7P/c38-33(36-31(34(39)40)22-27-15-7-2-8-16-27)30(21-26-13-5-1-6-14-26)25-45(42,43)32(23-28-17-9-3-10-18-28)37-35(41)44-24-29-19-11-4-12-20-29/h1-20,30-32H,21-25H2,(H,36,38)(H,37,41)(H,39,40)(H,42,43)/t30?,31-,32-/m1/s1
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| InChIKey |
LWMCPEHFZMNVIG-YPHBKRNWSA-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