H46
~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
Find entries where: H46
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide |
Identifiers | ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide |
Formula | C34 H36 F N5 O2 |
Molecular Weight | 565.68 |
Type | NON-POLYMER |
Isomeric SMILES | CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5 |
InChI | InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1 |
InChIKey | OVUNRYUVDVWTTE-YTTGMZPUSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 78 |
Chiral Atom Count | 1 |
Bond Count | 82 |
Aromatic Bond Count | 24 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1823578 |
PubChem | 25151875 |
ChEMBL | CHEMBL1823578 |