General Information of the Compound
| Compound ID |
CP0527540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 341
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
435.549
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)[C@@H]1CCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O3S/c28-23(20-7-4-12-25-20)26-14-19-15-27-24(31-19)29-18-9-11-22-17(13-18)8-10-21(30-22)16-5-2-1-3-6-16/h1-3,5-6,9,11,13,15,20-21,25H,4,7-8,10,12,14H2,(H,26,28)/t20-,21?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNNOWBXOOWALTI-BGERDNNASA-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