General Information of the Compound
| Compound ID |
CP0904058
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| Compound Name |
4-(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)benzamido)butanoic acid hydrochloride
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| Structure |
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| Formula |
C16H19ClN4O4
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| Molecular Weight |
366.805
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCCCC(=O)O)c2)ncn1
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| InChI |
InChI=1S/C16H18N4O4.ClH/c17-9-12-8-14(20-10-19-12)24-13-4-1-3-11(7-13)16(23)18-6-2-5-15(21)22;/h1,3-4,7-8,10H,2,5-6,9,17H2,(H,18,23)(H,21,22);1H
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| InChIKey |
AVSZURKOLQNLJN-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