General Information of the Compound
| Compound ID |
CP0227796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-hydroxy-4-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]amino]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27N9O3
|
||||||||||||||||||
| Molecular Weight |
561.606
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27N9O3/c1-2-21(36-27-25-26(33-16-32-25)34-17-35-27)28-37-23-10-6-9-22(24(23)30(41)39(28)20-7-4-3-5-8-20)31-15-18-11-13-19(14-12-18)29(40)38-42/h3-14,16-17,21,31,42H,2,15H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLUMCBYQNVOFLW-NRFANRHFSA-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