General Information of the Compound
| Compound ID |
CP0451937
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| Compound Name |
US10300060, Example 8-4
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| Structure |
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| Formula |
C23H15Cl2F3N6O2
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| Molecular Weight |
535.313
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| Canonical SMILES |
Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C23H15Cl2F3N6O2/c24-14-8-17(20(29)30-9-14)12-1-4-16(5-2-12)36-22-31-10-15(11-32-22)33-21(35)34-19-7-13(23(26,27)28)3-6-18(19)25/h1-11H,(H2,29,30)(H2,33,34,35)
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| InChIKey |
GAJBJKWFCCHZHO-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