General Information of the Compound
| Compound ID |
CP0378770
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| Compound Name |
7-{[2-(4-Chloro-phenylamino)-ethylamino]-methyl}-chromen-2-one
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| Structure |
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| Formula |
C18H17ClN2O2
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| Molecular Weight |
328.799
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| Canonical SMILES |
Clc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1
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| InChI |
InChI=1S/C18H17ClN2O2/c19-15-4-6-16(7-5-15)21-10-9-20-12-13-1-2-14-3-8-18(22)23-17(14)11-13/h1-8,11,20-21H,9-10,12H2
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| InChIKey |
SUJOXUGKODJLMD-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