General Information of the Compound
| Compound ID |
CP0481845
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| Compound Name |
N3-(benzo [d][1,3] dioxol-5- yl)benzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C15H12N2O2S
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| Molecular Weight |
284.34
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| Canonical SMILES |
Nc1sc2ccccc2c1Nc1ccc2OCOc2c1
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| InChI |
InChI=1S/C15H12N2O2S/c16-15-14(10-3-1-2-4-13(10)20-15)17-9-5-6-11-12(7-9)19-8-18-11/h1-7,17H,8,16H2
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| InChIKey |
PMUSNYGCVKYOFQ-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