General Information of the Compound
| Compound ID |
CP0224928
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| Compound Name |
N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(3-methylphenyl)sulfonylpiperazin-2-yl]propan-2-yl]acetamide
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| Structure |
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| Formula |
C22H27F2N3O4S
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| Molecular Weight |
467.538
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C22H27F2N3O4S/c1-14-4-3-5-19(8-14)32(30,31)27-7-6-25-21(13-27)22(29)20(26-15(2)28)11-16-9-17(23)12-18(24)10-16/h3-5,8-10,12,20-22,25,29H,6-7,11,13H2,1-2H3,(H,26,28)/t20-,21+,22-/m0/s1
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| InChIKey |
NJDSZIIKVQYJRQ-BDTNDASRSA-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