General Information of the Compound
| Compound ID |
CP0402631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9427442, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32F6N4O4
|
||||||||||||||||||
| Molecular Weight |
638.609
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2cccc(F)c2)c2cccc(OC3CC3)c2NC1=O)C1CCC(F)(F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32F6N4O4/c32-18-4-1-3-17(15-18)24-21-5-2-6-22(45-19-7-8-19)25(21)40-29(44)27(39-24)41-28(43)20(11-14-31(35,36)37)23(26(38)42)16-9-12-30(33,34)13-10-16/h1-6,15-16,19-20,23,27H,7-14H2,(H2,38,42)(H,40,44)(H,41,43)/t20-,23+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNCVKYZPDLZSFH-PCGJDWNTSA-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