General Information of the Compound
| Compound ID |
CP0430085
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| Compound Name |
N,N-dimethyl-2-(3-naphthalen-1-ylsulfonylindol-1-yl)ethanamine
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| Structure |
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| Formula |
C22H22N2O2S
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| Molecular Weight |
378.497
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| Canonical SMILES |
CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H22N2O2S/c1-23(2)14-15-24-16-22(19-11-5-6-12-20(19)24)27(25,26)21-13-7-9-17-8-3-4-10-18(17)21/h3-13,16H,14-15H2,1-2H3
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| InChIKey |
NEDCXGJXFFJREP-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