General Information of the Compound
| Compound ID |
CP0424149
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| Compound Name |
US8993557, 32
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| Structure |
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| Formula |
C21H16ClF3N2O3
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| Molecular Weight |
436.817
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| Canonical SMILES |
Cn1c(cc(C(=O)NCc2cccc(c2)-c2ccc(Cl)cc2)c(O)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C21H16ClF3N2O3/c1-27-17(21(23,24)25)10-16(18(28)20(27)30)19(29)26-11-12-3-2-4-14(9-12)13-5-7-15(22)8-6-13/h2-10,28H,11H2,1H3,(H,26,29)
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| InChIKey |
HMZYUBJCQJIPAW-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