General Information of the Compound
| Compound ID |
CP0480712
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| Compound Name |
2-[[2-benzyl-3-[hydroxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]acetic acid
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| Structure |
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| Formula |
C28H31N2O7P
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| Molecular Weight |
538.537
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| Canonical SMILES |
OC(=O)CNC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H31N2O7P/c31-26(32)18-29-27(33)24(16-21-10-4-1-5-11-21)20-38(35,36)25(17-22-12-6-2-7-13-22)30-28(34)37-19-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,29,33)(H,30,34)(H,31,32)(H,35,36)/t24?,25-/m1/s1
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| InChIKey |
JXKBBAIJUNLZHP-WUBHUQEYSA-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