General Information of the Compound
| Compound ID |
CP0535984
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| Compound Name |
US10100018, Example 49
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| Structure |
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| Formula |
C30H27NO5
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| Molecular Weight |
481.548
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| Canonical SMILES |
COc1ccc(Oc2ccc(cc2)C(=O)N(CCc2ccccc2)Cc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H27NO5/c1-35-26-15-17-28(18-16-26)36-27-13-11-24(12-14-27)29(32)31(20-19-22-5-3-2-4-6-22)21-23-7-9-25(10-8-23)30(33)34/h2-18H,19-21H2,1H3,(H,33,34)
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| InChIKey |
OUZLELZJXQVDPH-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