General Information of the Compound
| Compound ID |
CP0540854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]pyridin-3-yl]naphthalene-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O
|
||||||||||||||||||
| Molecular Weight |
414.553
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cccc3ccccc23)c(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQAFPKXWJXFNJL-RXVVDRJESA-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