General Information of the Compound
| Compound ID |
CP0411491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[1-[2-(1-benzothiophen-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
485.005
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCC(O)=O)Cc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClN2O4S/c1-25(24(32)27(12-10-23(30)31)15-17-6-8-19(26)9-7-17)11-13-28(25)22(29)14-18-16-33-21-5-3-2-4-20(18)21/h2-9,16H,10-15H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBLCYMJXQBVYRQ-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