General Information of the Compound
| Compound ID |
CP0537195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9427442, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29ClF6N4O3
|
||||||||||||||||||
| Molecular Weight |
631.017
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C1CCC(CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29ClF6N4O3/c30-20-8-4-7-19-22(16-5-2-1-3-6-16)38-25(27(43)39-23(19)20)40-26(42)18(13-14-28(31,32)33)21(24(37)41)15-9-11-17(12-10-15)29(34,35)36/h1-8,15,17-18,21,25H,9-14H2,(H2,37,41)(H,39,43)(H,40,42)/t15?,17?,18-,21+,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWOYRGKPVVYZKA-CHWYZSLQSA-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