General Information of the Compound
| Compound ID |
CP0564129
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| Compound Name |
US10100018, Example 34
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| Structure |
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| Formula |
C27H27NO5
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| Molecular Weight |
445.515
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| Canonical SMILES |
CCOc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H27NO5/c1-2-32-24-5-3-4-6-25(24)33-23-15-13-21(14-16-23)26(29)28(17-19-7-8-19)18-20-9-11-22(12-10-20)27(30)31/h3-6,9-16,19H,2,7-8,17-18H2,1H3,(H,30,31)
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| InChIKey |
ONGMIZHEZHGEOT-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