General Information of the Compound
| Compound ID |
CP0152093
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-C-methyl-N-(2-methylpropoxy)carbonimidoyl]benzamide
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| Structure |
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| Formula |
C35H44F2N4O6S
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| Molecular Weight |
686.822
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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)N2CCCCS2(=O)=O)c1
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| InChI |
InChI=1S/C35H44F2N4O6S/c1-23(2)22-47-40-24(3)27-16-28(18-31(17-27)41-10-5-6-11-48(41,44)45)35(43)39-33(15-26-12-29(36)19-30(37)13-26)34(42)21-38-20-25-8-7-9-32(14-25)46-4/h7-9,12-14,16-19,23,33-34,38,42H,5-6,10-11,15,20-22H2,1-4H3,(H,39,43)/b40-24-/t33-,34+/m0/s1
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| InChIKey |
JCUUWKUBIIMJSF-NLPFSADNSA-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