General Information of the Compound
| Compound ID |
CP0866802
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| Compound Name |
7-bromo-N3-(3-chloro-4-fluorophenyl)benzo[b]thiophene-2,3-diamine
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| Structure |
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| Formula |
C14H10BrCl2FN2S
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| Molecular Weight |
408.123
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| Canonical SMILES |
Cl.Nc1sc2c(Br)cccc2c1Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C14H9BrClFN2S.ClH/c15-9-3-1-2-8-12(14(18)20-13(8)9)19-7-4-5-11(17)10(16)6-7;/h1-6,19H,18H2;1H
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| InChIKey |
WTBYPZWRLZAARH-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