General Information of the Compound
| Compound ID |
CP0024454
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| Compound Name |
N-benzyl-5-(3-fluoroisoquinolin-6-yl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C18H13FN4O
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| Molecular Weight |
320.327
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| Canonical SMILES |
Fc1cc2cc(ccc2cn1)-c1nnc(NCc2ccccc2)o1
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| InChI |
InChI=1S/C18H13FN4O/c19-16-9-15-8-13(6-7-14(15)11-20-16)17-22-23-18(24-17)21-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,23)
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| InChIKey |
CXNLSCPNUHGFQJ-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