General Information of the Compound
| Compound ID |
CP0357542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S)-3-[[(2S)-5-(2,4-difluorophenyl)-2-(phosphonomethylamino)pent-4-ynoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F2N3O7P
|
||||||||||||||||||
| Molecular Weight |
535.44
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F2N3O7P/c25-17-10-8-15(18(26)12-17)5-3-6-19(27-14-37(34,35)36)23(32)28-20-11-9-16-4-1-2-7-21(16)29(24(20)33)13-22(30)31/h1-2,4,7-8,10,12,19-20,27H,6,9,11,13-14H2,(H,28,32)(H,30,31)(H2,34,35,36)/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNWWCJCEOOIWCA-PMACEKPBSA-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