General Information of the Compound
| Compound ID |
CP0357708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(2,3-dihydro-1H-inden-2-yl)-2-piperazin-1-yl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N7
|
||||||||||||||||||
| Molecular Weight |
387.491
|
||||||||||||||||||
| Canonical SMILES |
C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMAAYJNDYUIOGC-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