General Information of the Compound
| Compound ID |
CP0558350
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| Compound Name |
US10100018, Example 23
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| Structure |
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| Formula |
C27H27NO4
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| Molecular Weight |
429.516
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| Canonical SMILES |
Cc1ccccc1Oc1ccc(cc1)C(=O)N(CC1CCC1)Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H27NO4/c1-19-5-2-3-8-25(19)32-24-15-13-22(14-16-24)26(29)28(17-20-6-4-7-20)18-21-9-11-23(12-10-21)27(30)31/h2-3,5,8-16,20H,4,6-7,17-18H2,1H3,(H,30,31)
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| InChIKey |
DYBZGLVYMXXJHF-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