General Information of the Compound
| Compound ID |
CP0514775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8541380, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
454.976
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(s2)C2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27ClN2O5S/c22-14-7-6-12(20-19(28)18(27)17(26)15(10-25)29-20)8-13(14)9-16-23-24-21(30-16)11-4-2-1-3-5-11/h6-8,11,15,17-20,25-28H,1-5,9-10H2/t15-,17-,18+,19-,20?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSIUNJFUXVFMMN-FIBJEGPVSA-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