General Information of the Compound
| Compound ID |
CP0422690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-acetamidoethyl)-N-benzyl-8-cyclopropyl-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N4O3
|
||||||||||||||||||
| Molecular Weight |
444.535
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(cc-21)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N4O3/c1-17(31)27-12-13-30(15-18-6-4-3-5-7-18)26(32)24-22-16-33-23-11-10-20(19-8-9-19)14-21(23)25(22)29(2)28-24/h3-7,10-11,14,19H,8-9,12-13,15-16H2,1-2H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLTWDTANPBFDIR-UHFFFAOYSA-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