General Information of the Compound
| Compound ID |
CP0330909
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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)benzamide
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| Structure |
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| Formula |
C29H33F2N3O5S
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| Molecular Weight |
573.662
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N2CCCCS2(=O)=O)c1
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| InChI |
InChI=1S/C29H33F2N3O5S/c1-39-26-9-4-6-20(14-26)18-32-19-28(35)27(15-21-12-23(30)17-24(31)13-21)33-29(36)22-7-5-8-25(16-22)34-10-2-3-11-40(34,37)38/h4-9,12-14,16-17,27-28,32,35H,2-3,10-11,15,18-19H2,1H3,(H,33,36)/t27-,28+/m0/s1
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| InChIKey |
NEMXZEGROCPRLB-WUFINQPMSA-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