General Information of the Compound
| Compound ID |
CP0475470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2S
|
||||||||||||||||||
| Molecular Weight |
368.462
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CCN(CC1)C(=O)c1cscn1)N1N=CC[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2S/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIAYOTAFVSEDOQ-KRWDZBQOSA-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