General Information of the Compound
| Compound ID |
CP0231060
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(N-methylsulfonylanilino)benzamide
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| Structure |
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| Formula |
C35H38F2N4O6S
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| Molecular Weight |
680.774
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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)N(c1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C35H38F2N4O6S/c1-23(40-47-3)26-17-27(19-31(18-26)41(48(4,44)45)30-10-6-5-7-11-30)35(43)39-33(16-25-13-28(36)20-29(37)14-25)34(42)22-38-21-24-9-8-12-32(15-24)46-2/h5-15,17-20,33-34,38,42H,16,21-22H2,1-4H3,(H,39,43)/b40-23+/t33-,34+/m0/s1
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| InChIKey |
QSISXEMQSXRVSL-JXIRYUIFSA-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