General Information of the Compound
| Compound ID |
CP0404148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-(2-methoxyethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39N3O4
|
||||||||||||||||||
| Molecular Weight |
529.681
|
||||||||||||||||||
| Canonical SMILES |
COCCNC(=O)c1ccc(cc1)-c1cc(ccc1OC)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39N3O4/c1-38-20-19-33-31(36)23-15-13-22(14-16-23)28-21-24(17-18-29(28)39-2)30-26-11-7-8-12-27(26)32(37)35(34-30)25-9-5-3-4-6-10-25/h7-8,13-18,21,25-27H,3-6,9-12,19-20H2,1-2H3,(H,33,36)/t26-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVSDVVIYVGGEJU-RRPNLBNLSA-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase