General Information of the Compound
| Compound ID |
CP0404726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-3-phenyl-propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN2O
|
||||||||||||||||||
| Molecular Weight |
416.54
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)CCc1ccccc1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN2O/c1-27-17-20-18-29-30(23-13-11-22(28)12-14-23)25(20)16-21(27)8-5-9-24(27)26(31)15-10-19-6-3-2-4-7-19/h2-4,6-7,11-14,16,18,24,26,31H,5,8-10,15,17H2,1H3/t24-,26?,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HEWIVYFAXYIWTQ-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