General Information of the Compound
| Compound ID |
CP0536225
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| Compound Name |
N3-(3-Chloro-4- fluorophenyl)- 7-phenylbenzo [b]thiophene- 2,3-diamine
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| Structure |
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| Formula |
C20H14ClFN2S
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| Molecular Weight |
368.864
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| Canonical SMILES |
Nc1sc2c(cccc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
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| InChI |
InChI=1S/C20H14ClFN2S/c21-16-11-13(9-10-17(16)22)24-18-15-8-4-7-14(19(15)25-20(18)23)12-5-2-1-3-6-12/h1-11,24H,23H2
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| InChIKey |
GTMRSQDLGFFXES-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