General Information of the Compound
| Compound ID |
CP0405899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)-3,3-dimethyl-5-phenylpentan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H46O5
|
||||||||||||||||||
| Molecular Weight |
546.748
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H46O5/c1-7-35(8-2,28-14-16-31(25(3)20-28)39-23-30(37)22-36)29-15-17-32(26(4)21-29)40-24-33(38)34(5,6)19-18-27-12-10-9-11-13-27/h9-17,20-21,30,36-37H,7-8,18-19,22-24H2,1-6H3/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FHFWBJRMVMXDDQ-PMERELPUSA-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: PT01577, Androgen receptor
Protein ID: PT02378, Vitamin D3 receptor