General Information of the Compound
| Compound ID |
CP0003301
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| Compound Name |
US9745291, Compound 101
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
CC(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H31N3O4/c1-18(29)28-12-10-23-21(15-28)7-4-8-24(23)32-17-25(31)26-13-22(30)16-27-11-9-19-5-2-3-6-20(19)14-27/h2-8,22,30H,9-17H2,1H3,(H,26,31)
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| InChIKey |
ABHARIAOKQVJFQ-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