General Information of the Compound
| Compound ID |
CP0397451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2158397
Show/Hide
|
||||||||||||||||||
| Formula |
C58H60N4O14
|
||||||||||||||||||
| Molecular Weight |
1037.132
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCc1ccccc1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OCc3ccccc3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C58H60N4O14/c1-55(2,3)75-53(69)59-41-25-19-37(20-26-41)49(63)61-57(51(65)66)47(39-23-29-43(45(31-39)71-7)73-33-35-15-11-9-12-16-35)58(52(67)68,62-50(64)38-21-27-42(28-22-38)60-54(70)76-56(4,5)6)48(57)40-24-30-44(46(32-40)72-8)74-34-36-17-13-10-14-18-36/h9-32,47-48H,33-34H2,1-8H3,(H,59,69)(H,60,70)(H,61,63)(H,62,64)(H,65,66)(H,67,68)/t47-,48+,57+,58-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJBWIJGOLCLGNM-UYLASBEKSA-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