General Information of the Compound
| Compound ID |
CP0508932
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| Compound Name |
US9212171, 16
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| Structure |
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| Formula |
C20H20FN3O
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| Molecular Weight |
337.398
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| Canonical SMILES |
CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C20H20FN3O/c1-20(2)11-10-17(19(25)24(20)3)18-22-12-15(13-23-18)5-4-14-6-8-16(21)9-7-14/h6-9,12-13,17H,10-11H2,1-3H3
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| InChIKey |
HWJQBJYGDVQVRX-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