General Information of the Compound
| Compound ID |
CP0560260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N—((R)-2-((S)-2-(((2-(2-(Methylthio)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzo[d]oxazol-4-yl)oxy)methyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H28N6O4S2
|
||||||||||||||||||
| Molecular Weight |
624.748
|
||||||||||||||||||
| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2c(OC[C@@H]3CCCN3C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H28N6O4S2/c1-43-32-36-38-18-23(33-31(38)44-32)29-35-27-24(15-8-16-25(27)42-29)41-19-22-14-9-17-37(22)30(40)26(20-10-4-2-5-11-20)34-28(39)21-12-6-3-7-13-21/h2-8,10-13,15-16,18,22,26H,9,14,17,19H2,1H3,(H,34,39)/t22-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKJRXDCVDWEFEE-BKMJKUGQSA-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