General Information of the Compound
| Compound ID |
CP0561580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11059766, WO2011128279 Ex. 106
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O
|
||||||||||||||||||
| Molecular Weight |
317.392
|
||||||||||||||||||
| Canonical SMILES |
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3/t17-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTQGXNXEICIQPN-ZWKOTPCHSA-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