General Information of the Compound
| Compound ID |
CP0539896
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| Compound Name |
US8993565, 133
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| Structure |
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| Formula |
C22H28FN5O4
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| Molecular Weight |
445.495
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c(OCC2CCNCC2)c1
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| InChI |
InChI=1S/C22H28FN5O4/c23-16-1-2-17(18(11-16)32-14-15-3-5-24-6-4-15)25-21(29)12-19-26-20(13-22(30)27-19)28-7-9-31-10-8-28/h1-2,11,13,15,24H,3-10,12,14H2,(H,25,29)(H,26,27,30)
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| InChIKey |
BJCLPTYOTQJQPS-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