General Information of the Compound
| Compound ID |
CP0074210
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| Compound Name |
US8664236, A9
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| Structure |
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| Formula |
C22H19FN8
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| Molecular Weight |
414.448
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| Canonical SMILES |
CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
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| InChI |
InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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| InChIKey |
SMDRCKJLYKVNQP-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