General Information of the Compound
| Compound ID |
CP0338339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[[4-fluoro-3-[(2R)-2-phenylpiperazine-1-carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26FN5O2
|
||||||||||||||||||
| Molecular Weight |
447.514
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26FN5O2/c26-20-9-8-16(14-21-23-18(7-4-10-28-23)24(32)30-29-21)13-19(20)25(33)31-12-11-27-15-22(31)17-5-2-1-3-6-17/h1-3,5-6,8-9,13,22,27-28H,4,7,10-12,14-15H2,(H,30,32)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYBRSTDIXMSCGM-QFIPXVFZSA-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