General Information of the Compound
| Compound ID |
CP0903079
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| Compound Name |
(6-(3-Phenoxyphenoxy)pyrimidin-4-yl)methanamine hydrochloride
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| Structure |
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| Formula |
C17H16ClN3O2
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| Molecular Weight |
329.787
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(Oc3ccccc3)c2)ncn1
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| InChI |
InChI=1S/C17H15N3O2.ClH/c18-11-13-9-17(20-12-19-13)22-16-8-4-7-15(10-16)21-14-5-2-1-3-6-14;/h1-10,12H,11,18H2;1H
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| InChIKey |
SFQYPXKKWOZCSR-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