General Information of the Compound
| Compound ID |
CP0540954
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| Compound Name |
US9255103, 30
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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 |
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C21H17FN4O2/c22-17-5-2-6-20(10-17)28-14-18-11-19-13-25(7-8-26(19)24-18)21(27)16-4-1-3-15(9-16)12-23/h1-6,9-11H,7-8,13-14H2
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| InChIKey |
XMLYYZVUKWYDDG-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