General Information of the Compound
| Compound ID |
CP0580025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-methyl-N'-[2-methyl-5-(2-methylpropanoylamino)pyrazol-3-yl]-N-[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]butanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N7O4
|
||||||||||||||||||
| Molecular Weight |
495.584
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1cc(NC(=O)C[C@@H](C)C(=O)N[C@H]2c3ccccc3CN3CCCN3C2=O)n(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N7O4/c1-15(2)23(34)26-19-13-20(30(4)29-19)27-21(33)12-16(3)24(35)28-22-18-9-6-5-8-17(18)14-31-10-7-11-32(31)25(22)36/h5-6,8-9,13,15-16,22H,7,10-12,14H2,1-4H3,(H,27,33)(H,28,35)(H,26,29,34)/t16-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MURXADLXPPJQQW-ZHRRBRCNSA-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 | |||||||||||||||||||
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