General Information of the Compound
| Compound ID |
CP0244029
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| Compound Name |
US8664236, A17
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| Structure |
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| Formula |
C23H19FN8
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| Molecular Weight |
426.459
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
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| InChI |
InChI=1S/C23H19FN8/c1-31-12-15(10-28-31)14-7-17-18(11-27-22(17)26-9-14)19-8-21(30-23(25)29-19)32-5-4-13-6-16(24)2-3-20(13)32/h2-3,6-12H,4-5H2,1H3,(H,26,27)(H2,25,29,30)
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| InChIKey |
KWXINVRBJAYPJL-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