General Information of the Compound
| Compound ID |
CP0849885
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| Compound Name |
6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic acid prop-2-ynyl ester hydrochloride
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| Structure |
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| Formula |
C9H13ClN2O2
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| Molecular Weight |
216.668
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| Canonical SMILES |
C#CCOC(=O)C1CCC(N)=NC1.Cl
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| InChI |
InChI=1S/C9H12N2O2.ClH/c1-2-5-13-9(12)7-3-4-8(10)11-6-7;/h1,7H,3-6H2,(H2,10,11);1H
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| InChIKey |
ULLUJDHCDARZJN-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