General Information of the Compound
| Compound ID |
CP0007096
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| Compound Name |
US9745291, Compound 82
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
Cn1ncc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
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| InChI |
InChI=1S/C22H26N4O3/c1-25-20-7-4-8-21(19(20)12-24-25)29-15-22(28)23-11-18(27)14-26-10-9-16-5-2-3-6-17(16)13-26/h2-8,12,18,27H,9-11,13-15H2,1H3,(H,23,28)
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| InChIKey |
MWJDGWVFMSWSBD-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