General Information of the Compound
| Compound ID |
CP0539148
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| Compound Name |
US9255103, 26
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| Structure |
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| Formula |
C21H17FN4O2
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| Molecular Weight |
376.391
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| Canonical SMILES |
Fc1cc(cc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1)C#N
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| InChI |
InChI=1S/C21H17FN4O2/c22-17-9-15(12-23)8-16(10-17)21(27)25-6-7-26-19(13-25)11-18(24-26)14-28-20-4-2-1-3-5-20/h1-5,8-11H,6-7,13-14H2
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| InChIKey |
YRVOZPHTTGKVKP-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