General Information of the Compound
| Compound ID |
CP0430632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-nonan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37FN2O
|
||||||||||||||||||
| Molecular Weight |
424.604
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37FN2O/c1-3-4-5-6-7-8-12-26(31)24-11-9-10-21-17-25-20(18-27(21,24)2)19-29-30(25)23-15-13-22(28)14-16-23/h13-17,19,24,26,31H,3-12,18H2,1-2H3/t24-,26?,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIYXVMFFDAWEGG-YZLRFICZSA-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