General Information of the Compound
| Compound ID |
CP0518224
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| Compound Name |
US9255103, 32
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| Structure |
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| Formula |
C21H16F2N4O2
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| Molecular Weight |
394.381
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| Canonical SMILES |
Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(C#N)c(F)c2)c1
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| InChI |
InChI=1S/C21H16F2N4O2/c22-16-2-1-3-19(9-16)29-13-17-10-18-12-26(6-7-27(18)25-17)21(28)14-4-5-15(11-24)20(23)8-14/h1-5,8-10H,6-7,12-13H2
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| InChIKey |
ULBZCHWIVHJEHY-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