General Information of the Compound
| Compound ID |
CP0011930
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| Compound Name |
US9745291, Compound 31
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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 |
CC(=O)Nc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C22H27N3O4/c1-16(26)24-19-7-4-8-21(11-19)29-15-22(28)23-12-20(27)14-25-10-9-17-5-2-3-6-18(17)13-25/h2-8,11,20,27H,9-10,12-15H2,1H3,(H,23,28)(H,24,26)
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| InChIKey |
VPKCKVSYSOQSPJ-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