General Information of the Compound
| Compound ID |
CP0392389
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-4-(4-chlorobenzoyl)-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN2O2
|
||||||||||||||||||
| Molecular Weight |
340.81
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN2O2/c1-12-11-24-18-8-3-14(10-21)9-17(18)13(2)22(12)19(23)15-4-6-16(20)7-5-15/h3-9,12-13H,11H2,1-2H3/t12-,13+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZTZUKGKZZSSEM-OLZOCXBDSA-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