General Information of the Compound
| Compound ID |
CP0484285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-aminobenzoxazole, 31
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26ClN5O2
|
||||||||||||||||||
| Molecular Weight |
500.002
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)ccc4o3)ccc2Cl)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClN5O2/c1-33-12-14-34(15-13-33)18-19-16-20(6-8-23(19)29)31-28-32-25-17-21(7-9-27(25)36-28)35-26-10-11-30-24-5-3-2-4-22(24)26/h2-11,16-17H,12-15,18H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNIQXZXCYMQABS-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