General Information of the Compound
| Compound ID |
CP0564856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4789939
Show/Hide
|
||||||||||||||||||
| Formula |
C35H58N8O6S2
|
||||||||||||||||||
| Molecular Weight |
751.033
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H58N8O6S2/c1-35(2)24-43-28(23-51-34(43)42-35)22-50-33(40-26-9-5-4-6-10-26)41-27-13-11-25(12-14-27)17-39-32(47)21-49-20-31(46)38-16-8-7-15-37-30(45)19-48-18-29(44)36-3/h23,25-27H,4-22,24H2,1-3H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,40,41)/t25-,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFYAXNRXEOCJSZ-DUYHBEBVSA-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 | |||||||||||||||||||
| 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