General Information of the Compound
| Compound ID |
CP0258958
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| Compound Name |
1-(4-phenylphenoxy)-3-(prop-2-ynylamino)propan-2-ol
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| Structure |
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| Formula |
C18H19NO2
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| Molecular Weight |
281.355
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| Canonical SMILES |
OC(CNCC#C)COc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C18H19NO2/c1-2-12-19-13-17(20)14-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h1,3-11,17,19-20H,12-14H2
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| InChIKey |
OJTAUEDXRDZJQP-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