General Information of the Compound
| Compound ID |
CP0472229
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| Compound Name |
N3-(3- Methoxy- phenyl)benzo [b]thiophene- 2,3-diamine
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| Structure |
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| Formula |
C15H14N2OS
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| Molecular Weight |
270.357
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| Canonical SMILES |
COc1cccc(Nc2c(N)sc3ccccc23)c1
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| InChI |
InChI=1S/C15H14N2OS/c1-18-11-6-4-5-10(9-11)17-14-12-7-2-3-8-13(12)19-15(14)16/h2-9,17H,16H2,1H3
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| InChIKey |
NHDHUVDEZUIPNE-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