General Information of the Compound
| Compound ID |
CP0045085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-N-hydroxyundecanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H45NO4
|
||||||||||||||||||
| Molecular Weight |
471.682
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCC(=O)NO)Cc1cc(O)ccc31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H45NO4/c1-29-17-16-24-23-13-12-22(31)19-21(23)18-20(28(24)25(29)14-15-26(29)32)10-8-6-4-2-3-5-7-9-11-27(33)30-34/h12-13,19-20,24-26,28,31-32,34H,2-11,14-18H2,1H3,(H,30,33)/t20-,24-,25+,26+,28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXYDLULYSCIKKT-WZPKHOIMSA-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