General Information of the Compound
| Compound ID |
CP0419275
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| Compound Name |
US9434725, 162
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| Structure |
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| Formula |
C21H22F2N8
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| Molecular Weight |
424.459
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| Canonical SMILES |
FC(F)Cn1cc(cn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C21H22F2N8/c22-19(23)14-30-13-16(12-26-30)17-9-18-15(10-25-17)11-27-31(18)21-4-1-3-20(28-21)29-7-2-5-24-6-8-29/h1,3-4,9-13,19,24H,2,5-8,14H2
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| InChIKey |
ZHIKDHHAKGWUBZ-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