General Information of the Compound
| Compound ID |
CP0444453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(benzo[b]thiophen-2-yl)-5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26Cl2N2OS
|
||||||||||||||||||
| Molecular Weight |
509.502
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cc2ccccc2s1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26Cl2N2OS/c1-17-26-23(13-14-31(28(26)33)20-8-3-2-4-9-20)32(22-12-11-19(29)16-21(22)30)27(17)25-15-18-7-5-6-10-24(18)34-25/h5-7,10-12,15-16,20H,2-4,8-9,13-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNVUNBRGZKMDKG-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