General Information of the Compound
| Compound ID |
CP0197301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClF3N7O
|
||||||||||||||||||
| Molecular Weight |
475.862
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClF3N7O/c22-15-6-5-13(9-14(15)21(23,24)25)31-20(33)30-12-3-1-11(2-4-12)16-7-8-27-19-17(32-16)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,31,33)(H3,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVARFCVQRUETKP-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