General Information of the Compound
| Compound ID |
CP0160833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32O2
|
||||||||||||||||||
| Molecular Weight |
316.485
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHJRJDWXSJEGFJ-BPSSIEEOSA-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