General Information of the Compound
| Compound ID |
CP0574510
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,15R,17S,18S)-17-ethyl-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-7-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3
|
||||||||||||||||||
| Molecular Weight |
319.452
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3n(C)c2ccc(cc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3/c1-3-15-8-14-10-18-20(15)24(12-14)7-6-16-17-9-13(11-22)4-5-19(17)23(2)21(16)18/h4-5,9,14-15,18,20H,3,6-8,10,12H2,1-2H3/t14-,15+,18-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFFOSJJSWQGUJG-SLGAXEFGSA-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 | |||||||||||||||||||
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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT04993, Synaptic vesicular amine transporter