General Information of the Compound
| Compound ID |
CP0503497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-Difluoro-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzyl-carbamoyl)-Lproline-N,N-dimethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34F2N4O3
|
||||||||||||||||||
| Molecular Weight |
512.601
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)[C@@H]1CC(CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34F2N4O3/c1-18-14-20(26(35)33-13-7-6-9-19-8-4-5-10-23(19)33)11-12-21(18)16-31-28(37)34-17-22(25(29)30)15-24(34)27(36)32(2)3/h4-5,8,10-12,14,22,24-25H,6-7,9,13,15-17H2,1-3H3,(H,31,37)/t22?,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZZQZDVCXFTLBM-GITCGBDTSA-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