General Information of the Compound
| Compound ID |
CP0474830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 53
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H34N4O2
|
||||||||||||||||||
| Molecular Weight |
554.694
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cc2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H34N4O2/c1-39-16-18-40(19-17-39)28-11-8-25(9-12-28)26-10-13-32-31(21-26)35-29(14-15-37-36(35)38-32)30-23-33(41)27(22-34(30)42-2)20-24-6-4-3-5-7-24/h3-15,21-23,41H,16-20H2,1-2H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JODUQBSPTQNAJZ-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