General Information of the Compound
| Compound ID |
CP0481546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-cyclopropyl-N-[(6S)-5,11-dioxo-1,2,3,6-tetrahydropyrazolo[1,2-b][2,3]benzodiazepin-6-yl]-N'-(5-fluoro-2-methylpyridin-3-yl)butanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26FN5O4
|
||||||||||||||||||
| Molecular Weight |
479.512
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CCCN2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26FN5O4/c1-14-20(11-16(26)13-27-14)28-21(32)12-19(15-7-8-15)23(33)29-22-17-5-2-3-6-18(17)24(34)30-9-4-10-31(30)25(22)35/h2-3,5-6,11,13,15,19,22H,4,7-10,12H2,1H3,(H,28,32)(H,29,33)/t19-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKTAYIJTGDTNMJ-UGKGYDQZSA-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: PT06790, Signal peptide peptidase-like 2A
Protein ID: PT05844, Signal peptide peptidase-like 2A