General Information of the Compound
| Compound ID |
CP0390324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-17-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35NO7S
|
||||||||||||||||||
| Molecular Weight |
589.71
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35NO7S/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,41-29(38)26-8-5-15-39-26)27(37)18-42-30-34-23-6-3-4-7-25(23)40-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNQPDKQCWMJLNK-XRPUJFATSA-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