General Information of the Compound
| Compound ID |
CP0517477
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| Compound Name |
US10300060, Example 15-55
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| Structure |
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| Formula |
C29H20ClF3N6O2
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| Molecular Weight |
576.966
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| Canonical SMILES |
Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-c3ccccc3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C29H20ClF3N6O2/c30-20-13-24(26(34)35-14-20)18-6-9-22(10-7-18)41-28-36-15-21(16-37-28)38-27(40)39-25-12-19(29(31,32)33)8-11-23(25)17-4-2-1-3-5-17/h1-16H,(H2,34,35)(H2,38,39,40)
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| InChIKey |
GTIXAWDJWDSEMC-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