General Information of the Compound
| Compound ID |
CP0457960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-1-morpholinopropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27FN6O3
|
||||||||||||||||||
| Molecular Weight |
526.572
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27FN6O3/c1-19(29(37)35-10-12-38-13-11-35)39-26-7-3-6-24-27(26)28(32-18-31-24)34-23-8-9-25-21(15-23)16-33-36(25)17-20-4-2-5-22(30)14-20/h2-9,14-16,18-19H,10-13,17H2,1H3,(H,31,32,34)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJOBQWOUMSIZKE-LJQANCHMSA-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