General Information of the Compound
| Compound ID |
CP0429687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3741595
Show/Hide
|
||||||||||||||||||
| Formula |
C21H29FN4O
|
||||||||||||||||||
| Molecular Weight |
372.488
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)F)C[C@H]23)c2ccccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29FN4O/c1-13(2)19-24-18(17-7-5-6-8-26(17)19)20(27)23-9-14-15-10-25(11-16(14)15)12-21(3,4)22/h5-8,13-16H,9-12H2,1-4H3,(H,23,27)/t14-,15-,16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYFAKTJKSMZVGT-PHZGNYQRSA-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 | |||||||||||||||||||
| 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