General Information of the Compound
| Compound ID |
CP0414646
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| Compound Name |
US9242977, 85-209
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| Structure |
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| Formula |
C23H20F2N6O2S
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| Molecular Weight |
482.516
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(F)ccc3F)cn2)cc1
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| InChI |
InChI=1S/C23H20F2N6O2S/c1-2-9-26-23-29-13-20(34-23)14-3-6-17(7-4-14)33-22-27-11-16(12-28-22)30-21(32)31-19-10-15(24)5-8-18(19)25/h3-8,10-13H,2,9H2,1H3,(H,26,29)(H2,30,31,32)
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| InChIKey |
KAZXIHUVBXCHQR-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