R69
N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE
Find entries where: R69
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE |
Identifiers | N-[(3R,4R)-4-[[4-(5-dimethylamino-2-hydroxy-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide |
Formula | C28 H31 N5 O4 |
Molecular Weight | 501.577 |
Type | NON-POLYMER |
Isomeric SMILES | CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O |
InChI | InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1 |
InChIKey | NYQLXXDGJNYPPH-DNQXCXABSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 68 |
Chiral Atom Count | 2 |
Bond Count | 71 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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PubChem | 5289255 |
ChEMBL | CHEMBL1188538 |