General Information of the Compound
| Compound ID |
CP0677490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
17alpha-(1,3-Dihydro-2-tosyl-2H-indol-5-yl)-estradiol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H37NO4S
|
||||||||||||||||||
| Molecular Weight |
543.729
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)N2Cc3ccc([C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H37NO4S/c1-21-3-9-27(10-4-21)39(37,38)34-19-23-5-7-25(17-24(23)20-34)33(36)16-14-31-30-11-6-22-18-26(35)8-12-28(22)29(30)13-15-32(31,33)2/h3-5,7-10,12,17-18,29-31,35-36H,6,11,13-16,19-20H2,1-2H3/t29-,30-,31+,32+,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVDRINLTAKNYIE-UZGUBXJASA-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