General Information of the Compound
| Compound ID |
CP0238198
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| Compound Name |
2-[3-(4-fluorophenoxy)propyl]-1-(4-iodophenyl)guanidine
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| Structure |
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| Formula |
C16H17FIN3O
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| Molecular Weight |
413.234
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| Canonical SMILES |
Fc1ccc(OCCCNC(=N)Nc2ccc(I)cc2)cc1
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| InChI |
InChI=1S/C16H17FIN3O/c17-12-2-8-15(9-3-12)22-11-1-10-20-16(19)21-14-6-4-13(18)5-7-14/h2-9H,1,10-11H2,(H3,19,20,21)
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| InChIKey |
IWFOFMOHDIUVDV-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