General Information of the Compound
| Compound ID |
CP0504995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-cyclopentylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonyl)benzo[d]oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
461.587
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1cccc2oc(nc12)N1CCN(CC1)C1CCCC1)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O3S/c30-33(31,23-13-5-8-19-7-1-4-11-21(19)23)24-14-6-12-22-25(24)27-26(32-22)29-17-15-28(16-18-29)20-9-2-3-10-20/h1,4-8,11-14,20H,2-3,9-10,15-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFATTWZKBOOSAY-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