General Information of the Compound
| Compound ID |
CP0010214
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| Compound Name |
US9745291, Compound 112
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| Structure |
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| Formula |
C22H27N3O4
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| Molecular Weight |
397.475
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| Canonical SMILES |
CNC(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H27N3O4/c1-23-22(28)19-8-4-5-9-20(19)29-15-21(27)24-12-18(26)14-25-11-10-16-6-2-3-7-17(16)13-25/h2-9,18,26H,10-15H2,1H3,(H,23,28)(H,24,27)
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| InChIKey |
XAUDUCYAIZRLOR-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