General Information of the Compound
| Compound ID |
CP0497822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 170
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N5O6S3
|
||||||||||||||||||
| Molecular Weight |
617.775
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)N[S@](=O)C(C)(C)C)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O6S3/c1-26(2,3)41(33)31-27(6-8-36-9-7-27)23-28-16(15-39-23)14-37-20-10-17(34-4)11-21-18(20)12-22(38-21)19-13-32-24(29-19)40-25(30-32)35-5/h10-13,15,31H,6-9,14H2,1-5H3/t41-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLAJXEMJXNNYFI-VQJSHJPSSA-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