General Information of the Compound
| Compound ID |
CP0567322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21N5O3S
|
||||||||||||||||||
| Molecular Weight |
399.476
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N5O3S/c20-28(26,27)14-7-5-12(6-8-14)22-18-21-11-15-16(23-18)24(13-3-1-2-4-13)17(25)19(15)9-10-19/h5-8,11,13H,1-4,9-10H2,(H2,20,26,27)(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMDWMDLEIXAHBS-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 | |||||||||||||||||||
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: PT00926, Cyclin-dependent kinase 1
Protein ID: PT00874, Cyclin-dependent kinase 2