General Information of the Compound
| Compound ID |
CP0864714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-(4-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-pyran-3,4-diyl diacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H48N8O8
|
||||||||||||||||||
| Molecular Weight |
744.85
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H48N8O8/c1-22(47)39-33-35(53-25(4)50)34(52-24(3)49)31(21-51-23(2)48)54-37(33)46-20-28(42-43-46)19-44-15-17-45(18-16-44)30-10-8-9-29-32(30)41-36(40-29)26-11-13-27(14-12-26)38(5,6)7/h8-14,20,31,33-35,37H,15-19,21H2,1-7H3,(H,39,47)(H,40,41)/t31-,33-,34-,35-,37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPWXOHMDHYRSJY-GTHHSAJKSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound