General Information of the Compound
| Compound ID |
CP0550599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10294246, Compound No. 134
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18BClN2O4
|
||||||||||||||||||
| Molecular Weight |
384.628
|
||||||||||||||||||
| Canonical SMILES |
OB(O)[C@H](C[C@@H]1COc2c1cccc2Cl)NC(=O)Cc1ccccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18BClN2O4/c21-16-7-3-6-15-14(11-27-19(15)16)8-17(20(25)26)23-18(24)9-12-4-1-2-5-13(12)10-22/h1-7,14,17,25-26H,8-9,11H2,(H,23,24)/t14-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANAHQGZCJNNCQJ-PBHICJAKSA-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 | |||||||||||||||||||
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