General Information of the Compound
| Compound ID |
CP0398496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3394401
Show/Hide
|
||||||||||||||||||
| Formula |
C22H31N3O3
|
||||||||||||||||||
| Molecular Weight |
385.508
|
||||||||||||||||||
| Canonical SMILES |
CC1(O)CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3O3/c1-21(27)5-7-25(8-6-21)18-4-2-3-17(23-18)20(26)24-19-15-9-14-10-16(19)13-22(28,11-14)12-15/h2-4,14-16,19,27-28H,5-13H2,1H3,(H,24,26)/t14?,15?,16?,19-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJVFMQZGHZAALC-IDNYSXLCSA-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