General Information of the Compound
| Compound ID |
CP0517336
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| Compound Name |
US9315498, 21
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| Structure |
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| Formula |
C19H17FN2O
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| Molecular Weight |
308.356
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| Canonical SMILES |
CC1(C)CN(C(=O)C1)c1ncc(cc1F)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H17FN2O/c1-19(2)11-17(23)22(13-19)18-16(20)10-15(12-21-18)9-8-14-6-4-3-5-7-14/h3-7,10,12H,11,13H2,1-2H3
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| InChIKey |
NVKBRZCXPYSEQB-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