General Information of the Compound
| Compound ID |
CP0930558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87540016
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H43N3O4
|
||||||||||||||||||
| Molecular Weight |
605.779
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H43N3O4/c1-27-23-41(28(2)26-42)38(44)22-33-21-34(39-37(43)20-29-10-6-4-7-11-29)18-19-35(33)45-36(27)25-40(3)24-30-14-16-32(17-15-30)31-12-8-5-9-13-31/h4-19,21,27-28,36,42H,20,22-26H2,1-3H3,(H,39,43)/t27-,28+,36+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBMFRUBMXOVEAJ-ABGITXETSA-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