General Information of the Compound
| Compound ID |
CP0114062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN5O2
|
||||||||||||||||||
| Molecular Weight |
439.535
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN5O2/c25-20-8-7-16(15-21-22-18(6-3-9-26-22)23(31)28-27-21)14-19(20)24(32)30-12-10-29(11-13-30)17-4-1-2-5-17/h7-8,14,17,26H,1-6,9-13,15H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTZGIBQZSWQQFS-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