General Information of the Compound
| Compound ID |
CP0418197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181182, 48
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4O3
|
||||||||||||||||||
| Molecular Weight |
408.502
|
||||||||||||||||||
| Canonical SMILES |
CCCc1ccc(cc1)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4O3/c1-2-4-16-7-9-17(10-8-16)22-25-21(26-30-22)19-5-3-6-20-18(19)11-12-27(20)13-23(24,14-28)15-29/h3,5-10,28-29H,2,4,11-15,24H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWALCOHUJOMFSR-UHFFFAOYSA-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