General Information of the Compound
| Compound ID |
CP0874605
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| Compound Name |
N-(2-(1H-1,2,4-Triazol-1-yl)ethyl)-2-(aminomethyl)-4-oxo-4H-chromene-6-carboxamide hydrochloride
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| Structure |
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| Formula |
C15H16ClN5O3
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| Molecular Weight |
349.778
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(C(=O)NCCn3cncn3)ccc2o1
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| InChI |
InChI=1S/C15H15N5O3.ClH/c16-7-11-6-13(21)12-5-10(1-2-14(12)23-11)15(22)18-3-4-20-9-17-8-19-20;/h1-2,5-6,8-9H,3-4,7,16H2,(H,18,22);1H
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| InChIKey |
AIGZUHPIBAURDZ-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