General Information of the Compound
| Compound ID |
CP0569629
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| Compound Name |
US9315498, 91
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| Structure |
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| Formula |
C20H19FN2O
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| Molecular Weight |
322.383
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| Canonical SMILES |
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FN2O/c1-20(2)11-12-23(19(24)13-20)18-10-7-16(14-22-18)4-3-15-5-8-17(21)9-6-15/h5-10,14H,11-13H2,1-2H3
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| InChIKey |
HIQKKNGBYWJWAQ-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