General Information of the Compound
| Compound ID |
CP0407020
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2403853
Show/Hide
|
||||||||||||||||||
| Formula |
C25H31N3
|
||||||||||||||||||
| Molecular Weight |
373.544
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3/c1-17-7-12-25-24(13-17)27-18(2)28(25)23-10-8-22(9-11-23)26-16-19-14-20-5-3-4-6-21(20)15-19/h3-7,12-13,19,22-23,26H,8-11,14-16H2,1-2H3/t22-,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQGMWWQPAFPQSB-ZRZAMGCNSA-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