J7W
N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Find entries where: J7W
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
Identifiers | ~{N}-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
Formula | C27 H31 N9 O S |
Molecular Weight | 529.66 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1ccc(cc1Nc2nc(cs2)c3nc(cc(n3)N)N)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
InChI | InChI=1S/C27H31N9OS/c1-17-3-8-20(13-21(17)31-27-32-22(16-38-27)25-33-23(28)14-24(29)34-25)30-26(37)19-6-4-18(5-7-19)15-36-11-9-35(2)10-12-36/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,30,37)(H,31,32)(H4,28,29,33,34) |
InChIKey | AWHDUBFHMBQEJL-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 69 |
Chiral Atom Count | 0 |
Bond Count | 73 |
Aromatic Bond Count | 23 |
Related Resource References
Resource Name | Reference |
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PubChem | 168268155 |