General Information of the Compound
| Compound ID |
CP0514388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL279181
Show/Hide
|
||||||||||||||||||
| Formula |
C28H28ClN5O
|
||||||||||||||||||
| Molecular Weight |
486.019
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Nc2nc(N[C@H]3CC[C@H](CNC(=O)c4ccccc4)CC3)nc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28ClN5O/c29-21-12-16-22(17-13-21)31-26-24-8-4-5-9-25(24)33-28(34-26)32-23-14-10-19(11-15-23)18-30-27(35)20-6-2-1-3-7-20/h1-9,12-13,16-17,19,23H,10-11,14-15,18H2,(H,30,35)(H2,31,32,33,34)/t19-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLCJIOHLVNMHAU-UILWBTOOSA-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