General Information of the Compound
| Compound ID |
CP0903078
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| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-(2-sulfamoylethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C14H18ClN5O4S
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| Molecular Weight |
387.849
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCCS(N)(=O)=O)c2)ncn1
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| InChI |
InChI=1S/C14H17N5O4S.ClH/c15-8-11-7-13(19-9-18-11)23-12-3-1-2-10(6-12)14(20)17-4-5-24(16,21)22;/h1-3,6-7,9H,4-5,8,15H2,(H,17,20)(H2,16,21,22);1H
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| InChIKey |
JJUUZRRCZMLZKC-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