General Information of the Compound
| Compound ID |
CP0577707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-hydroxyethyl)-4-[[7'-[(1R,2R)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O4S
|
||||||||||||||||||
| Molecular Weight |
457.556
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O4S/c1-14-3-2-4-18(14)27-19-17(22(9-10-22)20(27)29)13-23-21(26-19)25-15-5-7-16(8-6-15)32(30,31)24-11-12-28/h5-8,13-14,18,24,28H,2-4,9-12H2,1H3,(H,23,25,26)/t14-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUCPNXUEDQNSTP-RDTXWAMCSA-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