General Information of the Compound
| Compound ID |
CP0552050
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| Compound Name |
5-(7-fluoro-3,3-dimethyl-2-oxo-1-propylindol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C19H20FN3O
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| Molecular Weight |
325.387
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| Canonical SMILES |
CCCN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C19H20FN3O/c1-5-8-23-17-14(19(2,3)18(23)24)9-12(10-15(17)20)16-7-6-13(11-21)22(16)4/h6-7,9-10H,5,8H2,1-4H3
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| InChIKey |
CBENYCNPSOQXRJ-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