General Information of the Compound
| Compound ID |
CP0467351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
481.5
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-11-14-7-8-18(33-14)29-15(9-17(28-29)21(22,23)24)20(31)26-10-13-5-3-4-6-16(13)32-2/h3-9,12H,10-11,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAIVUPRJVLMSPN-LBPRGKRZSA-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