General Information of the Compound
| Compound ID |
CP0522866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
17beta-Hydroxy-11beta-[4-(1-oxo-4-methoxycarbonyl-N-methylbutylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H41NO5
|
||||||||||||||||||
| Molecular Weight |
543.704
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H41NO5/c1-5-18-34(39)19-17-29-27-15-11-23-20-25(36)14-16-26(23)32(27)28(21-33(29,34)2)22-9-12-24(13-10-22)35(3)30(37)7-6-8-31(38)40-4/h9-10,12-13,20,27-29,39H,6-8,11,14-17,19,21H2,1-4H3/t27-,28+,29-,33-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXYQYPUDCUMBCW-BDOGIOJZSA-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