General Information of the Compound
| Compound ID |
CP0542099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4634663
Show/Hide
|
||||||||||||||||||
| Formula |
C30H37Cl2N5O3
|
||||||||||||||||||
| Molecular Weight |
586.564
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37Cl2N5O3/c1-2-3-10-33-30(39)22-17-34-26-9-8-25(20-15-23(31)29(38)24(32)16-20)36-28(26)27(22)35-21-6-4-19(5-7-21)18-37-11-13-40-14-12-37/h8-9,15-17,19,21,38H,2-7,10-14,18H2,1H3,(H,33,39)(H,34,35)/t19-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUPXYDFGNSYKIL-XUTJKUGGSA-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