General Information of the Compound
| Compound ID |
CP0412323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)-3,5-difluorophenyl]-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39F2NO2
|
||||||||||||||||||
| Molecular Weight |
507.665
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1c(F)cc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39F2NO2/c1-30(2,3)13-14-32(37)12-11-25-23-9-7-19-15-21(36)8-10-22(19)28(23)24(18-31(25,32)4)20-16-26(33)29(35(5)6)27(34)17-20/h15-17,23-25,37H,7-12,18H2,1-6H3/t23-,24+,25-,31-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJBSYIIMEZYLQG-OQDUGVJASA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor