General Information of the Compound
| Compound ID |
CP0579224
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| Compound Name |
US10183917, Example 4
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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)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1
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| InChI |
InChI=1S/C27H20Cl2N2O5/c28-19-2-1-3-20(29)24(19)25-18(26(36-31-25)15-6-7-15)13-34-23-11-16-8-4-14-5-9-17(27(32)33)10-21(14)35-22(16)12-30-23/h1-3,5,9-12,15H,4,6-8,13H2,(H,32,33)
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| InChIKey |
CDJOMZYNYHOFGM-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