General Information of the Compound
| Compound ID |
CP0427235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,11R,13S,14S,17S)-11-[3-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35NO2
|
||||||||||||||||||
| Molecular Weight |
429.604
|
||||||||||||||||||
| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cccc(c1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35NO2/c1-5-14-29(32)15-13-26-24-11-9-20-17-22(31)10-12-23(20)27(24)25(18-28(26,29)2)19-7-6-8-21(16-19)30(3)4/h6-8,16-17,24-26,32H,9-13,15,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MREOZLCREPXSCQ-GCNJZUOMSA-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