General Information of the Compound
| Compound ID |
CP0152088
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| Compound Name |
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C37H40F2N4O5
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| Molecular Weight |
658.746
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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)N[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C37H40F2N4O5/c1-23(27-10-6-5-7-11-27)41-36(45)29-17-28(24(2)43-48-4)18-30(19-29)37(46)42-34(16-26-13-31(38)20-32(39)14-26)35(44)22-40-21-25-9-8-12-33(15-25)47-3/h5-15,17-20,23,34-35,40,44H,16,21-22H2,1-4H3,(H,41,45)(H,42,46)/b43-24-/t23-,34+,35-/m1/s1
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| InChIKey |
WAGGNBKFZGGVPT-PDKDETCUSA-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