General Information of the Compound
| Compound ID |
CP0901742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3,2-d]pyridazin-4-ylamino)propyl)piperazin-1-yl)(1,2,3-thiadiazol-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N9O3S
|
||||||||||||||||||
| Molecular Weight |
521.607
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(NCCCN3CCN(C(=O)c4csnn4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N9O3S/c1-16-13-19-22(30(16)2)21(17-5-3-6-18(14-17)33(35)36)27-28-23(19)25-7-4-8-31-9-11-32(12-10-31)24(34)20-15-37-29-26-20/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMORZQVSLPKIQO-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D