General Information of the Compound
| Compound ID |
CP0428808
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| Compound Name |
US9409917, 87
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| Structure |
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| Formula |
C20H24N4O4
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| Molecular Weight |
384.436
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| Canonical SMILES |
COc1ccc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCOCC1
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| InChI |
InChI=1S/C20H24N4O4/c1-26-18-5-4-14(11-22-18)17(24-7-9-27-10-8-24)12-23-19(25)16-13-28-20-15(16)3-2-6-21-20/h2-6,11,16-17H,7-10,12-13H2,1H3,(H,23,25)
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| InChIKey |
FXEONGMZWAKNRV-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