General Information of the Compound
| Compound ID |
CP0454884
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| Compound Name |
2-Fluoro-4-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-propoxy}-phenol
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| Structure |
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| Formula |
C18H22FNO4
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| Molecular Weight |
335.375
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| Canonical SMILES |
COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(F)c2)cc1
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| InChI |
InChI=1S/C18H22FNO4/c1-23-15-4-2-13(3-5-15)8-9-20-11-14(21)12-24-16-6-7-18(22)17(19)10-16/h2-7,10,14,20-22H,8-9,11-12H2,1H3/t14-/m1/s1
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| InChIKey |
JNAIFLPGGYQDGD-CQSZACIVSA-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