General Information of the Compound
| Compound ID |
CP0275476
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(Z)-C-methyl-N-(2-methylpropoxy)carbonimidoyl]-5-[methyl(methylsulfonyl)amino]benzamide
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| Structure |
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| Formula |
C33H42F2N4O6S
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| Molecular Weight |
660.784
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C33H42F2N4O6S/c1-21(2)20-45-38-22(3)25-14-26(16-29(15-25)39(4)46(6,42)43)33(41)37-31(13-24-10-27(34)17-28(35)11-24)32(40)19-36-18-23-8-7-9-30(12-23)44-5/h7-12,14-17,21,31-32,36,40H,13,18-20H2,1-6H3,(H,37,41)/b38-22-/t31-,32+/m0/s1
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| InChIKey |
QLDYDHDTENAFAF-NPDCHJBDSA-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