General Information of the Compound
| Compound ID |
CP0282324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4aR,10aR)-2,4a-diethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28O3
|
||||||||||||||||||
| Molecular Weight |
304.43
|
||||||||||||||||||
| Canonical SMILES |
CC[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H28O3/c1-4-18-12-17(3,21)19(22,5-2)11-14(18)7-6-13-10-15(20)8-9-16(13)18/h8-10,14,20-22H,4-7,11-12H2,1-3H3/t14-,17-,18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONEZONATCLFMDO-AXUOBQJMSA-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