General Information of the Compound
| Compound ID |
CP0539888
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| Compound Name |
US9315498, 121
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| Structure |
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| Formula |
C18H15F2N3O
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| Molecular Weight |
327.334
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| Canonical SMILES |
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cc(F)ccc1F
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| InChI |
InChI=1S/C18H15F2N3O/c1-18(2)8-16(24)23(11-18)17-21-9-12(10-22-17)3-4-13-7-14(19)5-6-15(13)20/h5-7,9-10H,8,11H2,1-2H3
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| InChIKey |
KARQXIQWTZVKCL-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