General Information of the Compound
| Compound ID |
CP0455466
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| Compound Name |
7-{[2-(3-Chloro-4-methyl-phenylamino)-ethylamino]-methyl}-chromen-2-one
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| Structure |
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| Formula |
C19H19ClN2O2
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| Molecular Weight |
342.826
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| Canonical SMILES |
Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl
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| InChI |
InChI=1S/C19H19ClN2O2/c1-13-2-6-16(11-17(13)20)22-9-8-21-12-14-3-4-15-5-7-19(23)24-18(15)10-14/h2-7,10-11,21-22H,8-9,12H2,1H3
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| InChIKey |
CSWUQNVUGRQASS-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