General Information of the Compound
| Compound ID |
CP0801169
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| Compound Name |
4-(3-Prop-2-ynyloxy-propyl)-1H-imidazole oxalic acid
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| Structure |
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| Formula |
C11H14N2O5
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| Molecular Weight |
254.242
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| Canonical SMILES |
C#CCOCCCc1c[nH]cn1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C9H12N2O.C2H2O4/c1-2-5-12-6-3-4-9-7-10-8-11-9;3-1(4)2(5)6/h1,7-8H,3-6H2,(H,10,11);(H,3,4)(H,5,6)
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| InChIKey |
VHVSARJJFBUUCU-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