General Information of the Compound
| Compound ID |
CP0517621
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| Compound Name |
3-chloro-4-[[(3R,4S)-4-(4-chlorophenyl)sulfonyl-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]sulfonimidoyl]benzonitrile
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| Structure |
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| Formula |
C18H17Cl2N3O5S2
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| Molecular Weight |
490.39
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| Canonical SMILES |
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=N)(=O)c1ccc(cc1Cl)C#N
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| InChI |
InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(26,27)17-9-23(10-18(17,25)11-24)30(22,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,22,24-25H,9-11H2/t17-,18+,30?/m0/s1
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| InChIKey |
FBYGBFFBKQYSOW-IOUYGMNISA-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