General Information of the Compound
| Compound ID |
CP0519009
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| Compound Name |
US9012461, 17
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| Structure |
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| Formula |
C26H29F3N6O
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| Molecular Weight |
498.553
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C26H29F3N6O/c1-34-11-13-35(14-12-34)21-8-4-7-20(16-21)32-25-31-17-22(26(27,28)29)23(33-25)10-9-18-5-2-3-6-19(18)15-24(30)36/h2-8,16-17H,9-15H2,1H3,(H2,30,36)(H,31,32,33)
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| InChIKey |
XJDGWZKKBYHOOE-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