General Information of the Compound
| Compound ID |
CP0332955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL240035
Show/Hide
|
||||||||||||||||||
| Formula |
C29H33N5O
|
||||||||||||||||||
| Molecular Weight |
467.617
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1CC[C@H](CN2CCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N5O/c30-28-27-26(24-8-4-9-25(18-24)35-20-22-6-2-1-3-7-22)32-29(34(27)17-14-31-28)23-12-10-21(11-13-23)19-33-15-5-16-33/h1-4,6-9,14,17-18,21,23H,5,10-13,15-16,19-20H2,(H2,30,31)/t21-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLESQNUKOGTRMF-AFARHQOCSA-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