General Information of the Compound
| Compound ID |
CP0449364
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| Compound Name |
2-(3-Benzenesulfonyl-5-fluoro-indol-1-yl)-ethylamine
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| Structure |
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| Formula |
C16H15FN2O2S
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| Molecular Weight |
318.373
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| Canonical SMILES |
NCCn1cc(c2cc(F)ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H15FN2O2S/c17-12-6-7-15-14(10-12)16(11-19(15)9-8-18)22(20,21)13-4-2-1-3-5-13/h1-7,10-11H,8-9,18H2
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| InChIKey |
PUJPMENGRDTYFK-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