General Information of the Compound
| Compound ID |
CP0867643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
dimethyl (1R,1'R)-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(2-oxo-1-phenylethane-2,1-diyl)dicarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C48H46N8O8
|
||||||||||||||||||
| Molecular Weight |
862.944
|
||||||||||||||||||
| 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)c6ccccc6)[nH]5)cc(c2-4)OC3)[nH]1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C48H46N8O8/c1-61-47(59)53-41(27-11-5-3-6-12-27)45(57)55-17-9-15-35(55)43-49-23-33(51-43)29-19-31-25-64-38-22-30(20-32-26-63-37(21-29)39(31)40(32)38)34-24-50-44(52-34)36-16-10-18-56(36)46(58)42(54-48(60)62-2)28-13-7-4-8-14-28/h3-8,11-14,19-24,35-36,41-42H,9-10,15-18,25-26H2,1-2H3,(H,49,51)(H,50,52)(H,53,59)(H,54,60)/t35-,36-,41+,42+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQOZDAYFNOUKMV-MJTWZYIFSA-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