General Information of the Compound
| Compound ID |
CP0561238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9427442, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26ClF5N4O3
|
||||||||||||||||||
| Molecular Weight |
584.973
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26ClF5N4O3/c28-19-8-4-7-17-20(15-5-2-1-3-6-15)35-23(25(40)36-21(17)19)37-24(39)16(9-10-27(31,32)33)18(22(34)38)11-14-12-26(29,30)13-14/h1-8,14,16,18,23H,9-13H2,(H2,34,38)(H,36,40)(H,37,39)/t16-,18+,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISPSTDXOYVVQCC-WLENULPWSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT06709, Recombining binding protein suppressor of hairless