General Information of the Compound
| Compound ID |
CP0563339
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| Compound Name |
US9187424, 220
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| Structure |
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| Formula |
C23H16ClF7N2O2
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| Molecular Weight |
520.832
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| Canonical SMILES |
Fc1cc(ccc1Cl)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H16ClF7N2O2/c24-18-7-2-13(10-19(18)25)16-11-21(23(29,30)31,33-20(34)17(16)12-32)14-3-5-15(6-4-14)35-9-1-8-22(26,27)28/h2-7,10H,1,8-9,11H2,(H,33,34)
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| InChIKey |
GTGDWYSRRRBIHP-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