General Information of the Compound
| Compound ID |
CP0239741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)oxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
364.808
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(NC(=O)C(=O)NCc2[nH]nc3CCCCCc23)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClFN4O2/c18-12-7-6-10(8-13(12)19)21-17(25)16(24)20-9-15-11-4-2-1-3-5-14(11)22-23-15/h6-8H,1-5,9H2,(H,20,24)(H,21,25)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXEUJZJLOQLEHW-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