General Information of the Compound
| Compound ID |
CP0564290
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-4-[(8S)-4,5-dihydroxy-8-[(1R)-1-hydroxyethyl]-3-oxo-9,10-dihydro-8H-pyrrolo[1,2-a]benzo[cd]indol-6-yl]-3-hydroxybutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21NO7
|
||||||||||||||||||
| Molecular Weight |
387.388
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@@H]1CCc2c3C=CC(=O)c4c(O)c(O)c(C[C@@H](O)CC(O)=O)c(n12)c34
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO7/c1-8(22)12-3-4-13-10-2-5-14(24)17-16(10)18(21(12)13)11(19(27)20(17)28)6-9(23)7-15(25)26/h2,5,8-9,12,22-23,27-28H,3-4,6-7H2,1H3,(H,25,26)/t8-,9-,12+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDYNSDOODQSYRY-LNLATYFQSA-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 | |||||||||||||||||||
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