General Information of the Compound
| Compound ID |
CP0477831
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| Compound Name |
US10300060, Example 14-5
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| Structure |
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| Formula |
C25H17F4N9O2
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| Molecular Weight |
551.464
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| Canonical SMILES |
Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3ccnn3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C25H17F4N9O2/c26-16-10-19(22(30)31-11-16)14-1-4-18(5-2-14)40-24-32-12-17(13-33-24)35-23(39)36-20-9-15(25(27,28)29)3-6-21(20)38-8-7-34-37-38/h1-13H,(H2,30,31)(H2,35,36,39)
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| InChIKey |
KPRQEZRLCSHEDZ-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