General Information of the Compound
| Compound ID |
CP0527808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3394399
Show/Hide
|
||||||||||||||||||
| Formula |
C21H29N3O2
|
||||||||||||||||||
| Molecular Weight |
355.482
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCCCC1)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N3O2/c25-20(17-5-4-6-18(22-17)24-7-2-1-3-8-24)23-19-15-9-14-10-16(19)13-21(26,11-14)12-15/h4-6,14-16,19,26H,1-3,7-13H2,(H,23,25)/t14?,15?,16?,19-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPVUENSEHJVVGA-FPAZZPIFSA-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