General Information of the Compound
| Compound ID |
CP0449748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
10-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)decanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H48O4
|
||||||||||||||||||
| Molecular Weight |
472.71
|
||||||||||||||||||
| Canonical SMILES |
C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H48O4/c1-28-16-13-23(31)20-22(28)19-21(11-9-7-5-4-6-8-10-12-26(32)33)27-24(28)14-17-29(2)25(27)15-18-30(29,3)34/h20-21,24-25,27,34H,4-19H2,1-3H3,(H,32,33)/t21-,24+,25+,27-,28+,29+,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSSPMKMXKJHGDJ-IUTKNCLFSA-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