General Information of the Compound
| Compound ID |
CP0480658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5S)-4-(4-Methoxy-phenyl)-pyrrolidine-3-carboxylic acid {(R)-3-[6-(4-chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-1-methyl-propyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
619.187
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)N[C@H](C)CCc1cc(Sc2ccc(Cl)cc2)nn(-c2ccc(OC)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35ClN4O4S/c1-21(36-32(39)30-20-35-19-29(30)22-6-12-26(41-2)13-7-22)4-5-23-18-31(43-28-16-8-24(34)9-17-28)37-38(33(23)40)25-10-14-27(42-3)15-11-25/h6-18,21,29-30,35H,4-5,19-20H2,1-3H3,(H,36,39)/t21-,29-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZEHCDPRQJLFFG-KSMSDSDGSA-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