General Information of the Compound
| Compound ID |
CP0654243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-benzoimidazol-4-yloxy)-propylamino]-piperidin-1-yl}-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-N,N-dimethyl-guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N8O4S
|
||||||||||||||||||
| Molecular Weight |
578.699
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/b23-14-/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHKVLEJGDRCXNK-FVHJOOJJSA-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