General Information of the Compound
| Compound ID |
CP0226086
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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]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C37H39F3N4O5
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| Molecular Weight |
676.736
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| Canonical SMILES |
CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)NC(C)c1ccc(F)cc1
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| InChI |
InChI=1S/C37H39F3N4O5/c1-22(26-8-10-30(38)11-9-26)42-36(46)28-16-27(23(2)44-49-4)17-29(18-28)37(47)43-34(15-25-12-31(39)19-32(40)13-25)35(45)21-41-20-24-6-5-7-33(14-24)48-3/h5-14,16-19,22,34-35,41,45H,15,20-21H2,1-4H3,(H,42,46)(H,43,47)/b44-23-/t22?,34-,35+/m0/s1
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| InChIKey |
DMNRRHNNMFCWGH-UILNDYLZSA-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