General Information of the Compound
| Compound ID |
CP0335471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N5OS
|
||||||||||||||||||
| Molecular Weight |
447.608
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N5OS/c1-17(2)12-13-30-21-11-10-19(14-20(21)15-27-30)22(18-8-6-5-7-9-18)25(3,4)23(31)28-24-29-26-16-32-24/h5-11,14-17,22H,12-13H2,1-4H3,(H,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKMHNAUURYWFJM-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