General Information of the Compound
| Compound ID |
CP0451125
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(4-fluorophenyl)methanol
Show/Hide
|
||||||||||||||||||
| Formula |
C26H27FN2O
|
||||||||||||||||||
| Molecular Weight |
402.513
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@H](O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN2O/c1-17-6-12-22(13-7-17)29-24-14-20-4-3-5-23(26(20,2)15-19(24)16-28-29)25(30)18-8-10-21(27)11-9-18/h6-14,16,23,25,30H,3-5,15H2,1-2H3/t23-,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKSBJDWRTWWCNM-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 | |||||||||||||||||||
| 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