General Information of the Compound
| Compound ID |
CP0135024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-fluorophenyl)ethan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26F2N2O
|
||||||||||||||||||
| Molecular Weight |
420.503
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F2N2O/c1-26-15-18-16-29-30(22-11-9-21(28)10-12-22)24(18)14-19(26)3-2-4-23(26)25(31)13-17-5-7-20(27)8-6-17/h5-12,14,16,23,25,31H,2-4,13,15H2,1H3/t23-,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJFOBBRNTWNCES-AFESJLNVSA-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