General Information of the Compound
| Compound ID |
CP0951444
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| Compound Name |
N-(2-(1H-Tetrazol-1-yl)ethyl)-3-(((6-(aminomethyl)pyrimidin-4-yl)oxy)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C16H19ClN8O2
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| Molecular Weight |
390.835
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)NCCn3cnnn3)c2)ncn1
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| InChI |
InChI=1S/C16H18N8O2.ClH/c17-8-14-7-15(20-10-19-14)26-9-12-2-1-3-13(6-12)16(25)18-4-5-24-11-21-22-23-24;/h1-3,6-7,10-11H,4-5,8-9,17H2,(H,18,25);1H
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| InChIKey |
XNFLWJSJQICQHU-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