General Information of the Compound
| Compound ID |
CP0459758
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| Compound Name |
2-(aminomethyl)-6-(1-methyl-1H-pyrazol-4-yl)quinolin-4(1H)-one hydrochloride
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| Structure |
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| Formula |
C14H14N4O
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| Molecular Weight |
254.293
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2[nH]c(CN)cc(=O)c2c1
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| InChI |
InChI=1S/C14H14N4O/c1-18-8-10(7-16-18)9-2-3-13-12(4-9)14(19)5-11(6-15)17-13/h2-5,7-8H,6,15H2,1H3,(H,17,19)
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| InChIKey |
ODRAPGSREWKVTJ-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