General Information of the Compound
| Compound ID |
CP0571234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-4-ethoxy-5-[(2R)-2-methylmorpholin-4-yl]-N-[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38ClN5O5S2
|
||||||||||||||||||
| Molecular Weight |
636.24
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCO[C@H](C)C1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38ClN5O5S2/c1-4-39-26-18-23(30)22(17-25(26)35-13-14-40-20(2)19-35)28(36)32-29-31-24-7-6-21(16-27(24)41-29)42(37,38)15-5-8-34-11-9-33(3)10-12-34/h6-7,16-18,20H,4-5,8-15,19H2,1-3H3,(H,31,32,36)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGNPOKNBKXLUSH-HXUWFJFHSA-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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04871, Hydroxycarboxylic acid receptor 1