General Information of the Compound
| Compound ID |
CP0956956
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| Compound Name |
2-(Aminomethyl)-6-(1-methyl-1H-pyrazol-4-yl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C14H14ClN3O2
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| Molecular Weight |
291.738
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| Canonical SMILES |
Cl.Cn1cc(-c2ccc3oc(CN)cc(=O)c3c2)cn1
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| InChI |
InChI=1S/C14H13N3O2.ClH/c1-17-8-10(7-16-17)9-2-3-14-12(4-9)13(18)5-11(6-15)19-14;/h2-5,7-8H,6,15H2,1H3;1H
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| InChIKey |
HSWOBJLIDBJQQZ-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