General Information of the Compound
| Compound ID |
CP0479911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-benzyl-N-[(3S)-5-methyl-4-oxo-7-(1H-pyrazol-5-yl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N5O4
|
||||||||||||||||||
| Molecular Weight |
443.463
|
||||||||||||||||||
| Canonical SMILES |
CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N5O4/c1-29-21-12-16(18-9-10-25-27-18)7-8-22(21)32-14-20(24(29)31)26-23(30)19-13-17(33-28-19)11-15-5-3-2-4-6-15/h2-10,12-13,20H,11,14H2,1H3,(H,25,27)(H,26,30)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPQWAUBXMFKFMA-FQEVSTJZSA-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