General Information of the Compound
| Compound ID |
CP0568010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,15R,17R)-12-hydroxy-3-[(1R)-1-hydroxyethyl]-15-methyl-10-oxo-14,16-dioxa-2-azapentacyclo[9.8.1.02,6.07,20.013,19]icosa-1(19),6,8,11(20),12-pentaen-17-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23NO7
|
||||||||||||||||||
| Molecular Weight |
413.426
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@@H]1CCc2c3C=CC(=O)c4c(O)c5O[C@H](C)O[C@@H](CC(O)=O)Cc5c(n12)c34
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23NO7/c1-9(24)14-4-5-15-12-3-6-16(25)19-18(12)20(23(14)15)13-7-11(8-17(26)27)29-10(2)30-22(13)21(19)28/h3,6,9-11,14,24,28H,4-5,7-8H2,1-2H3,(H,26,27)/t9-,10-,11-,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFVJBQLVXOIJJL-BIAAXOCRSA-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