General Information of the Compound
| Compound ID |
CP0556713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9427442, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F5N4O3
|
||||||||||||||||||
| Molecular Weight |
564.555
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F5N4O3/c1-15-6-5-9-19-21(15)36-26(40)24(35-22(19)17-7-3-2-4-8-17)37-25(39)18(10-11-28(31,32)33)20(23(34)38)12-16-13-27(29,30)14-16/h2-9,16,18,20,24H,10-14H2,1H3,(H2,34,38)(H,36,40)(H,37,39)/t18-,20+,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDJFGDOVVAHZMZ-LJFZDNNRSA-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