General Information of the Compound
| Compound ID |
CP0555448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 294
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25N5O6S2
|
||||||||||||||||||
| Molecular Weight |
603.682
|
||||||||||||||||||
| Canonical SMILES |
COC1CN(C1)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25N5O6S2/c1-36-19-8-23(21-10-25(40-24(21)9-19)22-13-34-28(31-22)42-29(32-34)38-3)39-14-18-15-41-26(30-18)16-4-6-17(7-5-16)27(35)33-11-20(12-33)37-2/h4-10,13,15,20H,11-12,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRXMYKXJYYTXNC-UHFFFAOYSA-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