General Information of the Compound
| Compound ID |
CP0466689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-yl]triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N3
|
||||||||||||||||||
| Molecular Weight |
437.631
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H]([C@@H]2C1)n1ccnn1)C(=C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N3/c1-3-4-5-8-17-26-22-27-28(33-21-20-31-32-33)18-19-30(27,23(2)24-13-9-6-10-14-24)29(26)25-15-11-7-12-16-25/h6-7,9-16,20-21,27-28H,2-5,8,17-19,22H2,1H3/t27-,28-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOJSFMILWNIZRW-XEVVZDEMSA-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