General Information of the Compound
| Compound ID |
CP0489757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2059580
Show/Hide
|
||||||||||||||||||
| Formula |
C28H45N5O
|
||||||||||||||||||
| Molecular Weight |
467.702
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H45N5O/c1-20(2)31(5)16-10-6-7-11-17-32-23-14-15-24(32)19-22(18-23)29-28(34)27-25-12-8-9-13-26(25)33(30-27)21(3)4/h8-9,12-13,20-24H,6-7,10-11,14-19H2,1-5H3,(H,29,34)/t22-,23+,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOZXJJNAVCJQGU-BKFWDETESA-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