General Information of the Compound
| Compound ID |
CP0944244
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| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-(2-(methylsulfonyl)ethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C15H19ClN4O4S
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| Molecular Weight |
386.861
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cccc(Oc2cc(CN)ncn2)c1.Cl
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| InChI |
InChI=1S/C15H18N4O4S.ClH/c1-24(21,22)6-5-17-15(20)11-3-2-4-13(7-11)23-14-8-12(9-16)18-10-19-14;/h2-4,7-8,10H,5-6,9,16H2,1H3,(H,17,20);1H
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| InChIKey |
FRHHLQHDSZWRAF-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