General Information of the Compound
| Compound ID |
CP0360340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-hydroxy-5-[2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-yl]pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N8O2
|
||||||||||||||||||
| Molecular Weight |
420.477
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(CCCCC(=O)NO)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N8O2/c1-2-14(26-21-18-20(23-11-22-18)24-12-25-21)19-27-15-8-4-3-7-13(15)16(28-19)9-5-6-10-17(30)29-31/h3-4,7-8,11-12,14,31H,2,5-6,9-10H2,1H3,(H,29,30)(H2,22,23,24,25,26)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZSJHUHVDVWRCO-AWEZNQCLSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2