General Information of the Compound
| Compound ID |
CP0480375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[bis[(5-methylthiophen-2-yl)methyl]amino]-1H-pyrazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N3O2S2
|
||||||||||||||||||
| Molecular Weight |
347.465
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN(Cc2ccc(C)s2)c2cc(n[nH]2)C(O)=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N3O2S2/c1-10-3-5-12(22-10)8-19(9-13-6-4-11(2)23-13)15-7-14(16(20)21)17-18-15/h3-7H,8-9H2,1-2H3,(H,17,18)(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGJMNYQMRKLKFY-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