General Information of the Compound
| Compound ID |
CP0438557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
351.472
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25N3O3S/c1-3-11-23-16(21)14-12-5-4-6-13(12)24-15(14)18-17(22)20-9-7-19(2)8-10-20/h3-11H2,1-2H3,(H,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZLKDIADSIHPGV-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