General Information of the Compound
| Compound ID |
CP0456630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3R)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
530.433
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2nc(sc2c1)N1CC[C@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21Cl2N3O4S/c26-17-2-1-3-18(27)21(17)22-16(23(34-29-22)13-4-5-13)12-33-15-8-9-30(11-15)25-28-19-7-6-14(24(31)32)10-20(19)35-25/h1-3,6-7,10,13,15H,4-5,8-9,11-12H2,(H,31,32)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLUBVOZTWKPXPP-OAHLLOKOSA-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