General Information of the Compound
| Compound ID |
CP0432612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[8-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N9O2S2
|
||||||||||||||||||
| Molecular Weight |
547.67
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(N)=O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N9O2S2/c1-13-21(38-14(2)30-13)19-12-37-25(31-19)32-20-6-3-15(7-27-20)23(36)34-17-4-5-18(34)11-33(10-17)24-28-8-16(9-29-24)22(26)35/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H2,26,35)(H,27,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIASLYCIGRSCQP-UHFFFAOYSA-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