General Information of the Compound
| Compound ID |
CP0137454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S)-N-[[(3R)-5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N5
|
||||||||||||||||||
| Molecular Weight |
417.601
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2CNC[C@@H]2C1)[C@H]1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N5/c1-30(25-9-2-5-18-7-4-10-28-26(18)25)17-22-11-23-19(14-29-22)6-3-8-24(23)31-15-20-12-27-13-21(20)16-31/h3-4,6-8,10,20-22,25,27,29H,2,5,9,11-17H2,1H3/t20-,21+,22-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMZNSQMZQDCPCI-FFHOAYQKSA-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