General Information of the Compound
| Compound ID |
CP0954101
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| Compound Name |
N3-(3-Chloro-4-fluorophenyl)-7-(isoquinolin-4-yl)benzo[b]thiophene-2,3-diamine
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| Structure |
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| Formula |
C23H15ClFN3S
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| Molecular Weight |
419.912
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| Canonical SMILES |
Nc1sc2c(-c3cncc4ccccc34)cccc2c1Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C23H15ClFN3S/c24-19-10-14(8-9-20(19)25)28-21-17-7-3-6-16(22(17)29-23(21)26)18-12-27-11-13-4-1-2-5-15(13)18/h1-12,28H,26H2
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| InChIKey |
MZNJZCAYRUCKKS-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