General Information of the Compound
| Compound ID |
CP0550522
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| Compound Name |
US10183917, Example 3
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| Structure |
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| Formula |
C27H20Cl2N2O5
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| Molecular Weight |
523.372
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| Canonical SMILES |
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
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| InChI |
InChI=1S/C27H20Cl2N2O5/c28-18-2-1-3-19(29)24(18)25-17(26(36-31-25)15-5-6-15)13-34-23-11-10-21-20(30-23)9-8-14-4-7-16(27(32)33)12-22(14)35-21/h1-4,7,10-12,15H,5-6,8-9,13H2,(H,32,33)
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| InChIKey |
ATRNVMWUTDSCIE-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