General Information of the Compound
| Compound ID |
CP0423016
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| Compound Name |
2-phenyl-3-[(1R)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole-6-carbonitrile
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| Structure |
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| Formula |
C22H15F3N2S
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| Molecular Weight |
396.437
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| Canonical SMILES |
FC(F)(F)C[C@@H](c1cccs1)c1c([nH]c2cc(ccc12)C#N)-c1ccccc1
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| InChI |
InChI=1S/C22H15F3N2S/c23-22(24,25)12-17(19-7-4-10-28-19)20-16-9-8-14(13-26)11-18(16)27-21(20)15-5-2-1-3-6-15/h1-11,17,27H,12H2/t17-/m0/s1
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| InChIKey |
ZQTJTBWIFLKGEE-KRWDZBQOSA-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