General Information of the Compound
| Compound ID |
CP0870011
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| Compound Name |
{(S)-1-[(1S,2R)-1-Benzyl-2-hydroxy-2-((10S,13R)-10-isopropyl-9,12-dioxo-2,5-dioxa-8,11,14-triaza-bicyclo[14.2.2]icosa-1(19),16(20),17-trien-13-yl)-ethylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid benzyl ester
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| Structure |
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| Formula |
C41H55N5O8
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| Molecular Weight |
745.918
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O
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| InChI |
InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33-,34+,35+,36+/m0/s1
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| InChIKey |
TZULDDUNYAGRDC-JFKVGHNISA-N
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| CAS |
180968-42-7
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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