General Information of the Compound
| Compound ID |
CP0466763
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| Compound Name |
((R)-1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-3-phenyl-propyl]-phosphinic acid
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| Structure |
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| Formula |
C31H38N3O6P
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| Molecular Weight |
579.634
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C31H38N3O6P/c1-22(2)28(29(32)35)34-30(36)26(18-23-12-6-3-7-13-23)21-41(38,39)27(19-24-14-8-4-9-15-24)33-31(37)40-20-25-16-10-5-11-17-25/h3-17,22,26-28H,18-21H2,1-2H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t26?,27-,28+/m1/s1
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| InChIKey |
OTZGSMXWHJLTCA-OEBVTXOESA-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