General Information of the Compound
| Compound ID |
CP0561235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9427442, 6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F5N4O3
|
||||||||||||||||||
| Molecular Weight |
536.501
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)C1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F5N4O3/c27-25(28)12-15(13-25)19(21(32)36)17(10-11-26(29,30)31)23(37)35-22-24(38)33-18-9-5-4-8-16(18)20(34-22)14-6-2-1-3-7-14/h1-9,15,17,19,22H,10-13H2,(H2,32,36)(H,33,38)(H,35,37)/t17-,19+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVOOSDGRCIVKOG-ZWCUEREDSA-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