General Information of the Compound
| Compound ID |
CP0969644
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| Compound Name |
US8889668, I32
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| Structure |
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| Formula |
C21H21FN4O4
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| Molecular Weight |
412.421
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| Canonical SMILES |
COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1
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| InChI |
InChI=1S/C21H21FN4O4/c1-13-5-3-4-10-25(13)17-8-6-14(11-18(17)26(27)28)21-23-20(24-30-21)16-12-15(22)7-9-19(16)29-2/h6-9,11-13H,3-5,10H2,1-2H3
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| InChIKey |
WEHHLXNTZZGCMM-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