General Information of the Compound
| Compound ID |
CP0226087
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| Compound Name |
3-Acetyl-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 |
C31H35F2N3O6S
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| Molecular Weight |
615.699
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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)=O)N2CCCCS2(=O)=O)c1
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| InChI |
InChI=1S/C31H35F2N3O6S/c1-20(37)23-14-24(16-27(15-23)36-8-3-4-9-43(36,40)41)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)42-2/h5-7,10-12,14-17,29-30,34,38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t29-,30+/m0/s1
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| InChIKey |
JHZYSXKIQWSRHE-XZWHSSHBSA-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