General Information of the Compound
| Compound ID |
CP0562376
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| Compound Name |
US9315498, 86
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| Structure |
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| Formula |
C20H19FN4O
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| Molecular Weight |
350.397
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| Canonical SMILES |
CN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1cncc(F)c1
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| InChI |
InChI=1S/C20H19FN4O/c1-24-17-4-2-3-5-18(17)25(20(24)26)19-9-8-14(12-23-19)6-7-15-10-16(21)13-22-11-15/h8-13,17-18H,2-5H2,1H3
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| InChIKey |
FPZJORKHWVTQBR-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