General Information of the Compound
| Compound ID |
CP0411517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[benzyl(methyl)amino]propyl]-5-(4-chlorophenyl)-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25ClN2O3
|
||||||||||||||||||
| Molecular Weight |
460.961
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCn1c2cc3C(CC(=O)c3cc2oc1=O)c1ccc(Cl)cc1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25ClN2O3/c1-29(17-18-6-3-2-4-7-18)12-5-13-30-24-14-22-21(19-8-10-20(28)11-9-19)15-25(31)23(22)16-26(24)33-27(30)32/h2-4,6-11,14,16,21H,5,12-13,15,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZTFOTNNGVFDEU-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