General Information of the Compound
| Compound ID |
CP0406935
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| Compound Name |
US10300060, Example 9-2
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| Structure |
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| Formula |
C26H18ClF3N8O2
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| Molecular Weight |
566.931
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| Canonical SMILES |
Nc1ncc(Cl)cc1-c1ccc(Oc2ccc(NC(=O)Nc3cc(ccc3-n3ccnn3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C26H18ClF3N8O2/c27-17-12-20(24(31)33-13-17)15-1-5-19(6-2-15)40-23-8-4-18(14-32-23)35-25(39)36-21-11-16(26(28,29)30)3-7-22(21)38-10-9-34-37-38/h1-14H,(H2,31,33)(H2,35,36,39)
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| InChIKey |
AVYNGHHEMWJLJL-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