General Information of the Compound
| Compound ID |
CP0963996
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| Compound Name |
N3-methyl-N3-phenylbenzo[b]thiophene-2,3-diamine hydrochloride
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| Structure |
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| Formula |
C15H15ClN2S
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| Molecular Weight |
290.819
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| Canonical SMILES |
CN(c1ccccc1)c1c(N)sc2ccccc12.Cl
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| InChI |
InChI=1S/C15H14N2S.ClH/c1-17(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)18-15(14)16;/h2-10H,16H2,1H3;1H
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| InChIKey |
BUMADDMNQRPNAD-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