General Information of the Compound
| Compound ID |
CP0893947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4,6-bis(4-fluorophenylamino)-1,3,5-triazin-2-ylamino)pentan-1-ol hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23ClF2N6O
|
||||||||||||||||||
| Molecular Weight |
436.894
|
||||||||||||||||||
| Canonical SMILES |
Cl.OCCCCCNc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F2N6O.ClH/c21-14-4-8-16(9-5-14)24-19-26-18(23-12-2-1-3-13-29)27-20(28-19)25-17-10-6-15(22)7-11-17;/h4-11,29H,1-3,12-13H2,(H3,23,24,25,26,27,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPGFKQZGQIVHQQ-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