General Information of the Compound
| Compound ID |
CP0565204
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| Compound Name |
2-(aminomethyl)-6-(1H-pyrazol-1-yl)quinolin-4(1U)-one hydrochloride
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| Structure |
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| Formula |
C13H12N4O
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| Molecular Weight |
240.266
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| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)-n1cccn1
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| InChI |
InChI=1S/C13H12N4O/c14-8-9-6-13(18)11-7-10(2-3-12(11)16-9)17-5-1-4-15-17/h1-7H,8,14H2,(H,16,18)
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| InChIKey |
CGOKCTLKMJRXLC-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