General Information of the Compound
| Compound ID |
CP0078489
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| Compound Name |
[2-[2-[(dimethylamino)methyl]-4-iodophenyl]sulfanylphenyl]methanol
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| Structure |
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| Formula |
C16H18INOS
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| Molecular Weight |
399.297
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| Canonical SMILES |
CN(C)Cc1cc(I)ccc1Sc1ccccc1CO
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| InChI |
InChI=1S/C16H18INOS/c1-18(2)10-13-9-14(17)7-8-16(13)20-15-6-4-3-5-12(15)11-19/h3-9,19H,10-11H2,1-2H3
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| InChIKey |
XXMFGLMOHJMNJJ-UHFFFAOYSA-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