General Information of the Compound
| Compound ID |
CP0404872
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| Compound Name |
5-(3,3-diethyl-7-fluoro-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C18H18FN3O
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| Molecular Weight |
311.36
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| Canonical SMILES |
CCC1(CC)C(=O)Nc2c1cc(cc2F)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C18H18FN3O/c1-4-18(5-2)13-8-11(9-14(19)16(13)21-17(18)23)15-7-6-12(10-20)22(15)3/h6-9H,4-5H2,1-3H3,(H,21,23)
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| InChIKey |
KJUJBDCNWOJDQE-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