General Information of the Compound
| Compound ID |
CP0461509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5S)-4-p-Tolyl-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 |
C33H35ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
603.188
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(C)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35ClN4O3S/c1-21-4-7-23(8-5-21)29-19-35-20-30(29)32(39)36-22(2)6-9-24-18-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-3)15-13-26/h4-5,7-8,10-18,22,29-30,35H,6,9,19-20H2,1-3H3,(H,36,39)/t22-,29-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDKHMQQRMDPLQW-UVQZXEQTSA-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