General Information of the Compound
| Compound ID |
CP0576718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N4-cyclopropyl-N2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17F3N4O2
|
||||||||||||||||||
| Molecular Weight |
366.343
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc3OCCCOc3c2)nc1NC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17F3N4O2/c18-17(19,20)12-9-21-16(24-15(12)22-10-2-3-10)23-11-4-5-13-14(8-11)26-7-1-6-25-13/h4-5,8-10H,1-3,6-7H2,(H2,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDBZMDYBJJGQDJ-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