General Information of the Compound
| Compound ID |
CP0490330
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| Compound Name |
2-[[2-benzyl-3-[hydroxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C31H35N2O9P
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| Molecular Weight |
610.6
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| Canonical SMILES |
OC(=O)CCC(NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C31H35N2O9P/c34-28(35)17-16-26(30(37)38)32-29(36)25(18-22-10-4-1-5-11-22)21-43(40,41)27(19-23-12-6-2-7-13-23)33-31(39)42-20-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2,(H,32,36)(H,33,39)(H,34,35)(H,37,38)(H,40,41)/t25?,26?,27-/m1/s1
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| InChIKey |
ZVNMEPDFTYGXFJ-WZDPVOGJSA-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