General Information of the Compound
| Compound ID |
CP0546610
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| Compound Name |
US10562910, Example 5
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| Structure |
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| Formula |
C27H17Cl2FN2O5
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| Molecular Weight |
539.346
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| Canonical SMILES |
OC(=O)c1ccc2C=C(F)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
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| InChI |
InChI=1S/C27H17Cl2FN2O5/c28-17-2-1-3-18(29)23(17)24-16(26(37-32-24)13-4-5-13)12-35-22-9-8-20-25(31-22)19(30)10-14-6-7-15(27(33)34)11-21(14)36-20/h1-3,6-11,13H,4-5,12H2,(H,33,34)
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| InChIKey |
BBESGANVRPQFJB-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