General Information of the Compound
| Compound ID |
CP0494863
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| Compound Name |
US9315498, 92
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| Structure |
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| Formula |
C20H18F2N2O
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| Molecular Weight |
340.373
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| Canonical SMILES |
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cc(F)ccc1F
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| InChI |
InChI=1S/C20H18F2N2O/c1-20(2)9-10-24(19(25)12-20)18-8-4-14(13-23-18)3-5-15-11-16(21)6-7-17(15)22/h4,6-8,11,13H,9-10,12H2,1-2H3
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| InChIKey |
JWAPZTBXKGEHLZ-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