General Information of the Compound
| Compound ID |
CP0956959
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| Compound Name |
3-(((2-(Aminomethyl)-4-oxo-4H-chromen-7-yl)oxy)methyl)-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C24H21ClN2O4
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| Molecular Weight |
436.895
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| Canonical SMILES |
Cl.NCc1cc(=O)c2ccc(OCc3cccc(C(=O)Nc4ccccc4)c3)cc2o1
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| InChI |
InChI=1S/C24H20N2O4.ClH/c25-14-20-12-22(27)21-10-9-19(13-23(21)30-20)29-15-16-5-4-6-17(11-16)24(28)26-18-7-2-1-3-8-18;/h1-13H,14-15,25H2,(H,26,28);1H
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| InChIKey |
RSIHLBXILHDVBP-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