General Information of the Compound
| Compound ID |
CP0943694
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| Compound Name |
3-(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)benzamido)propanoic acid hydrochloride
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| Structure |
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| Formula |
C15H17ClN4O4
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| Molecular Weight |
352.778
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCCC(=O)O)c2)ncn1
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| InChI |
InChI=1S/C15H16N4O4.ClH/c16-8-11-7-13(19-9-18-11)23-12-3-1-2-10(6-12)15(22)17-5-4-14(20)21;/h1-3,6-7,9H,4-5,8,16H2,(H,17,22)(H,20,21);1H
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| InChIKey |
SVXNOAAQWHNBSU-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