General Information of the Compound
| Compound ID |
CP0494911
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| Compound Name |
US9315498, 124
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| Structure |
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| Formula |
C18H16F2N4O
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| Molecular Weight |
342.349
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| Canonical SMILES |
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F
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| InChI |
InChI=1S/C18H16F2N4O/c1-18(2)11-24(17(25)23(18)3)16-21-9-12(10-22-16)4-5-13-8-14(19)6-7-15(13)20/h6-10H,11H2,1-3H3
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| InChIKey |
PEJLNQDVFKCPIA-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