General Information of the Compound
| Compound ID |
CP0544225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,14S)-12-hydroxy-3-[(1R)-1-hydroxyethyl]-14-methyl-10-oxo-15-oxa-2-azapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-1(19),6,8,11,13(18),16-hexaen-16-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21NO6
|
||||||||||||||||||
| Molecular Weight |
395.411
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@@H]1CCc2c3C=CC(=O)c4c(O)c5[C@H](C)OC(CC(O)=O)=Cc5c(n12)c34
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21NO6/c1-9(24)14-4-5-15-12-3-6-16(25)20-19(12)21(23(14)15)13-7-11(8-17(26)27)29-10(2)18(13)22(20)28/h3,6-7,9-10,14,24,28H,4-5,8H2,1-2H3,(H,26,27)/t9-,10+,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCIPLYCMVXSIDW-BFVZDQMLSA-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