General Information of the Compound
| Compound ID |
CP0566631
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| Compound Name |
N3-(3,4- difluoro- phenyl)-5- methylbenzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C15H12F2N2S
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| Molecular Weight |
290.338
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| Canonical SMILES |
Cc1ccc2sc(N)c(Nc3ccc(F)c(F)c3)c2c1
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| InChI |
InChI=1S/C15H12F2N2S/c1-8-2-5-13-10(6-8)14(15(18)20-13)19-9-3-4-11(16)12(17)7-9/h2-7,19H,18H2,1H3
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| InChIKey |
WHXICMYHONRMES-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