General Information of the Compound
| Compound ID |
CP0015263
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S)-3-[[9-(cyclopropylmethyl)-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30N8O
|
||||||||||||||||||
| Molecular Weight |
422.537
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC3CC3)c(nc12)-c1cnn(CC)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30N8O/c1-4-18(31)28-9-8-16(12-28)26-20-19-22(24-13-23-20)29(11-15-6-7-15)21(27-19)17-10-25-30(5-2)14(17)3/h10,13,15-16H,4-9,11-12H2,1-3H3,(H,23,24,26)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXNVOUZYTLIMNT-INIZCTEOSA-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