General Information of the Compound
| Compound ID |
CP0735548
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| Compound Name |
{(S)-1-[(1S,2R,3R)-1-Benzyl-2-hydroxy-3-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-3-(4-methoxy-benzylamino)-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
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| Structure |
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| Formula |
C41H48N4O7
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| Molecular Weight |
708.856
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| Canonical SMILES |
COc1ccc(CN[C@@H](C(=O)NC2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1
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| InChI |
InChI=1S/C41H48N4O7/c1-26(2)35(45-41(50)52-25-29-14-8-5-9-15-29)39(48)43-33(22-27-12-6-4-7-13-27)38(47)37(42-24-28-18-20-31(51-3)21-19-28)40(49)44-36-32-17-11-10-16-30(32)23-34(36)46/h4-21,26,33-38,42,46-47H,22-25H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)/t33-,34+,35-,36?,37+,38+/m0/s1
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| InChIKey |
REMWHFWKWGUPSX-UBFBUDJESA-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: PT00004, Pol polyprotein
Protein ID: PT00064, Protease