General Information of the Compound
| Compound ID |
CP0956957
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| Compound Name |
2-(4-(2-(Aminomethyl)-4-oxo-4H-chromen-6-yl)-1H-1,2,3-triazol-1-yl)-N,N-dimethylacetamide hydrochloride
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| Structure |
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| Formula |
C16H18ClN5O3
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| Molecular Weight |
363.805
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| Canonical SMILES |
CN(C)C(=O)Cn1cc(-c2ccc3oc(CN)cc(=O)c3c2)nn1.Cl
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| InChI |
InChI=1S/C16H17N5O3.ClH/c1-20(2)16(23)9-21-8-13(18-19-21)10-3-4-15-12(5-10)14(22)6-11(7-17)24-15;/h3-6,8H,7,9,17H2,1-2H3;1H
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| InChIKey |
BHAQDGZRAWUNQT-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