General Information of the Compound
| Compound ID |
CP0550966
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| Compound Name |
US8618299, 39
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| Structure |
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| Formula |
C26H22F3N3O
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| Molecular Weight |
449.476
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3c4CN5CCCC5Cc4[nH]c3c2)c(=O)c1
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| InChI |
InChI=1S/C26H22F3N3O/c27-26(28,29)18-5-3-16(4-6-18)17-9-11-32(25(33)12-17)20-7-8-21-22-15-31-10-1-2-19(31)13-24(22)30-23(21)14-20/h3-9,11-12,14,19,30H,1-2,10,13,15H2
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| InChIKey |
ANFXZTQTWZJBEG-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