General Information of the Compound
| Compound ID |
CP0489474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-(sulfamoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H36N2O4S
|
||||||||||||||||||
| Molecular Weight |
412.596
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H36N2O4S/c1-20-9-7-14(23-28(22,26)27)11-13(20)3-4-15-16-5-6-18(19(25)12-24)21(16,2)10-8-17(15)20/h13-18,23-24H,3-12H2,1-2H3,(H2,22,26,27)/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYEKMZUPNDJTAG-VTBMCCKRSA-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