General Information of the Compound
| Compound ID |
CP0957935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H29ClN6O2S
|
||||||||||||||||||
| Molecular Weight |
428.99
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H29ClN6O2S/c1-12-14(19)28-16(21-12)22-17(27)24-9-7-23(8-10-24)15(26)13-11-25(6-5-20-13)18(2,3)4/h13,20H,5-11H2,1-4H3,(H,21,22,27)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRCQRJYGTXABQG-CYBMUJFWSA-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