General Information of the Compound
| Compound ID |
CP0387529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1n
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H24ClF2N5O2S
|
||||||||||||||||||
| Molecular Weight |
604.082
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4s3)c3ccccc23)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H24ClF2N5O2S/c1-19-12-14-39(37-19)20-10-11-22(24(32)16-20)30(41)38-15-13-31(33,34)23(21-6-2-4-8-26(21)38)17-28(40)35-18-29-36-25-7-3-5-9-27(25)42-29/h2-12,14,16-17H,13,15,18H2,1H3,(H,35,40)/b23-17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHLFFPPEKMTIFW-QJOMJCCJSA-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
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor