General Information of the Compound
| Compound ID |
CP0345154
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| Compound Name |
3-{1-[Allyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide
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| Structure |
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| Formula |
C34H40F2N4O6S
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| Molecular Weight |
670.779
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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)N2CCCCS2(=O)=O)c1
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| InChI |
InChI=1S/C34H40F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h4,7-9,13-15,17-20,32-33,37,41H,1,5-6,10-12,16,21-22H2,2-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1
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| InChIKey |
AHHZRVFNARGXOU-BJNFDGMPSA-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