General Information of the Compound
| Compound ID |
CP0533896
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| Compound Name |
2-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]thiophene
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| Structure |
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| Formula |
C18H15BrOS2
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| Molecular Weight |
391.355
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| Canonical SMILES |
[O-][S@@+](Cc1cccs1)[C@@H](c1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2/t18-,22-/m0/s1
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| InChIKey |
HPPPHPZJRWQZID-AVRDEDQJSA-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