General Information of the Compound
| Compound ID |
CP0333116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O5S
|
||||||||||||||||||
| Molecular Weight |
496.629
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N2O5S/c1-25-9-7-16(30)12-15(25)5-6-17-18-8-10-27(33,26(18,2)13-19(31)22(17)25)21(32)14-35-24-29-23-20(34-24)4-3-11-28-23/h3-4,11-12,17-19,22,31,33H,5-10,13-14H2,1-2H3/t17-,18-,19-,22+,25-,26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDAAIGICWIKWHM-TZDXYYDNSA-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