General Information of the Compound
| Compound ID |
CP0546824
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| Compound Name |
US8791272, 9.4
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| Structure |
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| Formula |
C21H19ClFN3O3
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| Molecular Weight |
415.852
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H19ClFN3O3/c1-12-17(10-20(27)28)13(2)26(25-12)11-14-3-5-15(6-4-14)21(29)24-16-7-8-19(23)18(22)9-16/h3-9H,10-11H2,1-2H3,(H,24,29)(H,27,28)
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| InChIKey |
HQNTXTXBSQBPOF-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