General Information of the Compound
| Compound ID |
CP0539934
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| Compound Name |
US9434725, 154
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| Structure |
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| Formula |
C21H21F3N8
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| Molecular Weight |
442.449
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| Canonical SMILES |
FC(F)(F)Cn1cc(cn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C21H21F3N8/c22-21(23,24)14-31-13-16(12-27-31)17-9-18-15(10-26-17)11-28-32(18)20-4-1-3-19(29-20)30-7-2-5-25-6-8-30/h1,3-4,9-13,25H,2,5-8,14H2
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| InChIKey |
RLVWGBLSDHEDOU-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