General Information of the Compound
| Compound ID |
CP0296011
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| Compound Name |
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-1-N-[1-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H34F3N3O4
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| Molecular Weight |
605.657
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)NC(C)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C34H34F3N3O4/c1-21(24-9-11-27(35)12-10-24)39-33(42)25-6-4-7-26(17-25)34(43)40-31(16-23-13-28(36)18-29(37)14-23)32(41)20-38-19-22-5-3-8-30(15-22)44-2/h3-15,17-18,21,31-32,38,41H,16,19-20H2,1-2H3,(H,39,42)(H,40,43)/t21?,31-,32+/m0/s1
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| InChIKey |
RABCYDLNQIDCFW-RBWOBRSLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound