General Information of the Compound
| Compound ID |
CP0922767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9133168, Example 28b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
388.855
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(Cl)cccc43)n2)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClN4O3/c1-12-11-23(7-8-27-12)17-10-18(25)22-16(21-17)9-19(26)24-6-5-13-14(20)3-2-4-15(13)24/h2-4,10,12H,5-9,11H2,1H3,(H,21,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIXDOSMWIYXJJU-UHFFFAOYSA-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