General Information of the Compound
| Compound ID |
CP0242327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340555, 54
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26F2N4O7S
|
||||||||||||||||||
| Molecular Weight |
612.611
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC[C@H](NC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26F2N4O7S/c1-15-4-6-17(30)21(12-15)35-29(39)34-19-7-5-16(13-18(19)31)42-23-10-11-32-22-14-24(43-26(22)23)27(37)33-20(28(38)41-3)8-9-25(36)40-2/h4-7,10-14,20H,8-9H2,1-3H3,(H,33,37)(H2,34,35,39)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNWOQMPKVHYVJD-FQEVSTJZSA-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