General Information of the Compound
| Compound ID |
CP0572728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10294246, Compound No. 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19BClNO4
|
||||||||||||||||||
| Molecular Weight |
371.629
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)ccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19BClNO4/c1-12-16(21)8-7-15-14(11-26-19(12)15)10-17(20(24)25)22-18(23)9-13-5-3-2-4-6-13/h2-8,11,17,24-25H,9-10H2,1H3,(H,22,23)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FAPDUCVZVLCCQM-KRWDZBQOSA-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