General Information of the Compound
| Compound ID |
CP0494349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1,3-benzothiazol-5-ylmethyl-[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O4S2
|
||||||||||||||||||
| Molecular Weight |
507.637
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2scnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O4S2/c1-26(10-12-29(26)24(32)19-15-34-21-6-3-2-5-18(19)21)25(33)28(11-4-7-23(30)31)14-17-8-9-22-20(13-17)27-16-35-22/h2-3,5-6,8-9,13,15-16H,4,7,10-12,14H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYAHODPDPNXIBW-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