General Information of the Compound
| Compound ID |
CP0012000
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| Compound Name |
US9745291, Compound 130
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
CN1CCCC(C1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H35N3O3/c1-28-13-6-9-22(16-28)24-10-4-5-11-25(24)32-19-26(31)27-15-23(30)18-29-14-12-20-7-2-3-8-21(20)17-29/h2-5,7-8,10-11,22-23,30H,6,9,12-19H2,1H3,(H,27,31)
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| InChIKey |
XLTVCBJHAJFECK-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