General Information of the Compound
| Compound ID |
CP0206874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2S)-3-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31N5O4S2
|
||||||||||||||||||
| Molecular Weight |
625.776
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQWVYUAACJVKFJ-LJAQVGFWSA-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