General Information of the Compound
| Compound ID |
CP0553817
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| Compound Name |
US8933079, 6.5
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| Structure |
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| Formula |
C22H23FN4O3
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| Molecular Weight |
410.449
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| Canonical SMILES |
CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(F)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C22H23FN4O3/c1-15-8-16(12-26(2)3)4-7-20(15)21(28)13-27-22(29)9-19(11-25-27)30-14-18-6-5-17(23)10-24-18/h4-11H,12-14H2,1-3H3
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| InChIKey |
OCGQJLADXLLGKJ-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