Synonyms: CFT-8634
Comment: CFT8634 is an orally bioavailable BRD9 degrader that was developed by C4 Therapeutics for potential to treat BRD9-dependent tumours. BRD9 degradation is predicted to offer a more effective option than BRD9 inhibition. Its chemical structure was disclosed at the AACR spring meeting in 2022.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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2
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Rotatable bonds
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9
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Topological polar surface area
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108.38
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Molecular weight
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710.34
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XLogP
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5.91
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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COc1cc(cc(c1CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1ccc(cc1F)N[C@@H]1CCC(=O)NC1=O)OC)c1cn(C)c(=O)c(c1C)C
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Isomeric SMILES
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Cc1c(c(=O)n(cc1c1cc(c(c(c1)OC)CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1c(cc(cc1)N[C@@H]1CCC(=O)NC1=O)F)OC)C)C
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InChI
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InChI=1S/C37H45F3N6O5/c1-22-23(2)36(49)43(3)19-26(22)24-16-31(50-4)27(32(17-24)51-5)20-44-11-10-33(37(39,40)21-44)46-14-12-45(13-15-46)30-8-6-25(18-28(30)38)41-29-7-9-34(47)42-35(29)48/h6,8,16-19,29,33,41H,7,9-15,20-21H2,1-5H3,(H,42,47,48)/t29-,33+/m1/s1
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InChI Key
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GNRGNRCQXHMQQV-CPBHLAHYSA-N
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