General Information of the Compound
| Compound ID |
CP0098283
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| Compound Name |
MLS000771459
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| Structure |
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| Formula |
C18H20FN3O2
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| Molecular Weight |
329.375
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
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| InChI |
InChI=1S/C18H20FN3O2/c1-3-22(4-2)17(23)13-9-11-14(12-10-13)20-18(24)21-16-8-6-5-7-15(16)19/h5-12H,3-4H2,1-2H3,(H2,20,21,24)
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| InChIKey |
SGANGEJIAMYACI-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1