General Information of the Compound
| Compound ID |
CP0851386
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| Compound Name |
SID49672328
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| Structure |
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| Formula |
C17H16FNO3
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| Molecular Weight |
301.317
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| Canonical SMILES |
O=C(NCCc1ccccc1F)c1ccc2c(c1)OCCO2
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| InChI |
InChI=1S/C17H16FNO3/c18-14-4-2-1-3-12(14)7-8-19-17(20)13-5-6-15-16(11-13)22-10-9-21-15/h1-6,11H,7-10H2,(H,19,20)
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| InChIKey |
BBDGFZNYUFZNHK-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