General Information of the Compound
| Compound ID |
CP0564635
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| Compound Name |
4-[(3S,4S)-1-(2,4-dichlorophenyl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxybenzonitrile
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| Structure |
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| Formula |
C17H14Cl2N2O4S
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| Molecular Weight |
413.282
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| Canonical SMILES |
O[C@H]1CN(C[C@@H]1Oc1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C17H14Cl2N2O4S/c18-12-3-6-17(14(19)7-12)26(23,24)21-9-15(22)16(10-21)25-13-4-1-11(8-20)2-5-13/h1-7,15-16,22H,9-10H2/t15-,16-/m0/s1
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| InChIKey |
NTIXBZBCZHBVGW-HOTGVXAUSA-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