General Information of the Compound
| Compound ID |
CP0466547
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| Compound Name |
N3-(4-Bromo-2- methylphenyl) benzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C15H13BrN2S
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| Molecular Weight |
333.254
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| Canonical SMILES |
Cc1cc(Br)ccc1Nc1c(N)sc2ccccc12
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| InChI |
InChI=1S/C15H13BrN2S/c1-9-8-10(16)6-7-12(9)18-14-11-4-2-3-5-13(11)19-15(14)17/h2-8,18H,17H2,1H3
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| InChIKey |
PMIBPMWTPUEXSA-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