General Information of the Compound
| Compound ID |
CP0520991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4637906
Show/Hide
|
||||||||||||||||||
| Formula |
C21H32N2O
|
||||||||||||||||||
| Molecular Weight |
328.5
|
||||||||||||||||||
| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@@H](CC1)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N2O/c1-2-17(14-16-6-4-3-5-7-16)20-15-21(20)23-19-10-8-18(9-11-19)22-12-13-24/h3-7,14,18-24H,2,8-13,15H2,1H3/b17-14+/t18-,19-,20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQPMUBDBUQFCEN-KZRIWZHQSA-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