General Information of the Compound
| Compound ID |
CP0474917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-3-hydroxy-1-[3-(2-hydroxyethyl)indol-1-yl]-2-methyl-4-methylidenenonan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29NO3
|
||||||||||||||||||
| Molecular Weight |
343.467
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=C)[C@@H](O)[C@H](C)C(=O)n1cc(CCO)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29NO3/c1-4-5-6-9-15(2)20(24)16(3)21(25)22-14-17(12-13-23)18-10-7-8-11-19(18)22/h7-8,10-11,14,16,20,23-24H,2,4-6,9,12-13H2,1,3H3/t16-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUUJXQRFABCCQY-OXJNMPFZSA-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