General Information of the Compound
| Compound ID |
CP0437920
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| Compound Name |
[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C16H14N2O2S2
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| Molecular Weight |
330.434
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| Canonical SMILES |
NCc1ncc(s1)S(=O)(=O)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C16H14N2O2S2/c17-10-15-18-11-16(21-15)22(19,20)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10,17H2
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| InChIKey |
ZIFBHKQLIVUBDJ-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