General Information of the Compound
Compound ID |
CP0513505
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Compound Name |
US10028961, Compound 7
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Structure |
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Formula |
C19H23F3N6
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Molecular Weight |
392.429
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Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NCC2CCC2)nc(NCC2CCC2)n1
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InChI |
InChI=1S/C19H23F3N6/c20-19(21,22)15-9-3-8-14(25-15)16-26-17(23-10-12-4-1-5-12)28-18(27-16)24-11-13-6-2-7-13/h3,8-9,12-13H,1-2,4-7,10-11H2,(H2,23,24,26,27,28)
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InChIKey |
VPNNRJRDRDIMTN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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