General Information of the Compound
| Compound ID |
CP0384467
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24ClF2N5O2
|
||||||||||||||||||
| Molecular Weight |
547.993
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnc3)c3ccccc23)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24ClF2N5O2/c1-19-10-13-37(35-19)21-8-9-23(25(30)15-21)28(39)36-14-11-29(31,32)24(22-6-2-3-7-26(22)36)16-27(38)34-18-20-5-4-12-33-17-20/h2-10,12-13,15-17H,11,14,18H2,1H3,(H,34,38)/b24-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRKXXCTZUIJARI-JLPGSUDCSA-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