General Information of the Compound
| Compound ID |
CP0951334
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
dimethyl (1S,1'S)-2,2'-((2S,2'S)-2,2'-(5,5'-(5,10-dihydrochromeno[5,4,3-cde]chromene-2,7-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(1-cyclobutyl-2-oxoethane-2,1-diyl)dicarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H50N8O8
|
||||||||||||||||||
| Molecular Weight |
818.932
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCC6)[nH]5)cc(c2-4)OC3)[nH]1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H50N8O8/c1-57-43(55)49-37(23-7-3-8-23)41(53)51-13-5-11-31(51)39-45-19-29(47-39)25-15-27-21-60-34-18-26(16-28-22-59-33(17-25)35(27)36(28)34)30-20-46-40(48-30)32-12-6-14-52(32)42(54)38(24-9-4-10-24)50-44(56)58-2/h15-20,23-24,31-32,37-38H,3-14,21-22H2,1-2H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t31-,32-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNLZQPLAMPISGJ-BHBXGUOQSA-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