General Information of the Compound
| Compound ID |
CP0577728
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| Compound Name |
US9249085, I(aa)
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| Structure |
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| Formula |
C22H17F4NO3
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| Molecular Weight |
419.374
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| Canonical SMILES |
Cc1c(F)cc(cc1CNc1c(F)ccc(OCC(O)=O)c1F)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H17F4NO3/c1-12-15(7-14(9-18(12)25)13-3-2-4-16(23)8-13)10-27-22-17(24)5-6-19(21(22)26)30-11-20(28)29/h2-9,27H,10-11H2,1H3,(H,28,29)
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| InChIKey |
JTYLYSPSSBGHFE-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