General Information of the Compound
| Compound ID |
CP0499627
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| Compound Name |
US10100018, Example 59
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| Structure |
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| Formula |
C29H23F2NO5
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| Molecular Weight |
503.501
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| Canonical SMILES |
COc1cccc(CN(Cc2ccc(C(O)=O)c(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
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| InChI |
InChI=1S/C29H23F2NO5/c1-36-23-6-4-5-19(15-23)17-32(18-20-9-14-24(29(34)35)26(31)16-20)28(33)21-10-12-22(13-11-21)37-27-8-3-2-7-25(27)30/h2-16H,17-18H2,1H3,(H,34,35)
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| InChIKey |
UIJGNVZGTKKTFL-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