General Information of the Compound
| Compound ID |
CP0907261
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87543197
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H57Cl2N5O6
|
||||||||||||||||||
| Molecular Weight |
798.853
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H57Cl2N5O6/c1-28-24-49(29(2)27-50)42(53)33-23-32(46-40(51)15-6-5-7-16-41(52)47-37-14-9-8-13-36(37)45)18-20-38(33)55-30(3)12-10-11-21-54-39(28)26-48(4)25-31-17-19-34(43)35(44)22-31/h8-9,13-14,17-20,22-23,28-30,39,50H,5-7,10-12,15-16,21,24-27,45H2,1-4H3,(H,46,51)(H,47,52)/t28-,29-,30+,39+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMBSBKQGYSXUIA-DDAOWKICSA-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