General Information of the Compound
| Compound ID |
CP0386902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,11R,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-(4-pyrrolidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43NO2
|
||||||||||||||||||
| Molecular Weight |
497.723
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHEYCPMWVXEPFA-GAXVQCDJSA-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