General Information of the Compound
| Compound ID |
CP0417786
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| Compound Name |
3-(phenylsulfonyl)-1H-indole, 18m
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| Synonyms |
3-(phenylsulfonyl)-1H-indole, 18m
BDBM35240
CHEMBL608380
SCHEMBL3565077
{2-[3-(Phenylsulfonyl)-1H-indol-4-yl]ethyl}amine
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| Structure |
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| Formula |
C16H16N2O2S
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| Molecular Weight |
300.383
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| Canonical SMILES |
NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2
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| InChIKey |
RSVUNKKDIROCQS-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
Clinical Information about the Compound