General Information of the Compound
| Compound ID |
CP0534586
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| Compound Name |
2-Amino-3-((3- (trifluoro- methyl)phenyl) amino) benzofuran-6- carbonitrile
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| Structure |
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| Formula |
C16H10F3N3O
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| Molecular Weight |
317.27
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| Canonical SMILES |
Nc1oc2cc(ccc2c1Nc1cccc(c1)C(F)(F)F)C#N
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| InChI |
InChI=1S/C16H10F3N3O/c17-16(18,19)10-2-1-3-11(7-10)22-14-12-5-4-9(8-20)6-13(12)23-15(14)21/h1-7,22H,21H2
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| InChIKey |
SEPVWVBSHYIQPL-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