General Information of the Compound
| Compound ID |
CP0567344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9079906, 174
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35N5O5
|
||||||||||||||||||
| Molecular Weight |
485.585
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CC)c2nn(CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)c(=N)n2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N5O5/c1-7-16-14-21(34-8-2)27-30-23(16)28-29(24(30)26)15-19(32)17-12-18(25(3,4)5)22(33-6)20(13-17)35-11-9-10-31/h12-14,26,31H,7-11,15H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWCIDHJPSBVKPD-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