General Information of the Compound
| Compound ID |
CP0873237
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(5-fluoropyridin-2-yl)-2-(methoxymethyl)-5-methyl-5,6-dihydrobenzo[c]pyrazolo[4,3-e]azepin-4(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
352.369
|
||||||||||||||||||
| Canonical SMILES |
COCn1cc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)cn3)cc1-2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17FN4O2/c1-23-9-13-4-3-12(17-6-5-14(20)8-21-17)7-15(13)16-10-24(11-26-2)22-18(16)19(23)25/h3-8,10H,9,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTMJCOYOVJRRNF-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