JCA
N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Find entries where: JCA
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
---|---|
Name | N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
Identifiers | ~{N}-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
Formula | C27 H30 N8 O S |
Molecular Weight | 514.645 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
InChI | InChI=1S/C27H30N8OS/c1-18-3-8-21(15-22(18)31-27-32-23(17-37-27)25-29-10-9-24(28)33-25)30-26(36)20-6-4-19(5-7-20)16-35-13-11-34(2)12-14-35/h3-10,15,17H,11-14,16H2,1-2H3,(H,30,36)(H,31,32)(H2,28,29,33) |
InChIKey | SDIGAJDSJRTLLI-UHFFFAOYSA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 67 |
Chiral Atom Count | 0 |
Bond Count | 71 |
Aromatic Bond Count | 23 |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 168268154 |