General Information of the Compound
Compound ID |
CP0561003
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US9266877, 86
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C38H40N6O3S
|
||||||||||||||||||
Molecular Weight |
660.844
|
||||||||||||||||||
Canonical SMILES |
Cc1c(cnn1CC1CCC2C[C@@H](C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C38H40N6O3S/c1-22-29(19-39-44(22)20-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(41-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)21-43)35(45)42-37-40-31-9-4-5-10-32(31)48-37/h4-10,13-14,19,23,25-26H,11-12,15-18,20-21H2,1-3H3,(H,46,47)(H,40,42,45)/t23?,25?,26-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
OHXHWBFNCAGNLJ-QDQFNNJSSA-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