General Information of the Compound
| Compound ID |
CP0041060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-N-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H22N6O2S2
|
||||||||||||||||||
| Molecular Weight |
394.526
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22N6O2S2/c1-9-13(10-8-25-12(19-10)7-21(2)3)26-15(18-9)20-16(24)22-6-4-5-11(22)14(17)23/h8,11H,4-7H2,1-3H3,(H2,17,23)(H,18,20,24)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOVJEAHPPYETGT-NSHDSACASA-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