General Information of the Compound
| Compound ID |
CP0577249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5084868
Show/Hide
|
||||||||||||||||||
| Formula |
C24H25N3O2
|
||||||||||||||||||
| Molecular Weight |
387.483
|
||||||||||||||||||
| Canonical SMILES |
C1[C@@H](C[C@@H]1c1ccccc1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O2/c1-3-7-18(8-4-1)20-13-21(14-20)29-24-15-23(25-17-26-24)27-11-12-28-22(16-27)19-9-5-2-6-10-19/h1-10,15,17,20-22H,11-14,16H2/t20-,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASCJRRKWUBNNDJ-BHIFYINESA-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 | |||||||||||||||||||
| 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