General Information of the Compound
| Compound ID |
CP0806763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-Diamino-6-(pyrrolidin-1-ylmethoxy)-9,9a-dihydro-4aH-xanthene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2
|
||||||||||||||||||
| Molecular Weight |
336.395
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1c(N)cc2c(c1N)Cc1ccc(OCN3CCCC3)cc1O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2/c20-10-15-16(21)9-18-14(19(15)22)7-12-3-4-13(8-17(12)25-18)24-11-23-5-1-2-6-23/h3-4,8-9H,1-2,5-7,11,21-22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPOBPSCQONCWEI-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