General Information of the Compound
| Compound ID |
CP0474169
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| Compound Name |
2-(aminomethyl)-6-(pyrimidin-5-yl)quinolin-4(1H)-one hydrochloride
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| Structure |
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| Formula |
C14H12N4O
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| Molecular Weight |
252.277
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| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)-c1cncnc1
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| InChI |
InChI=1S/C14H12N4O/c15-5-11-4-14(19)12-3-9(1-2-13(12)18-11)10-6-16-8-17-7-10/h1-4,6-8H,5,15H2,(H,18,19)
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| InChIKey |
HQCUSSYWHXYVSE-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