General Information of the Compound
| Compound ID |
CP0434379
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| Compound Name |
2-[2-(3,4-dimethoxyphenyl)ethylamino]-5,7-dimethoxychromen-4-one
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| Structure |
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| Formula |
C21H23NO6
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| Molecular Weight |
385.416
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(NCCc1ccc(OC)c(OC)c1)cc2=O
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| InChI |
InChI=1S/C21H23NO6/c1-24-14-10-18(27-4)21-15(23)12-20(28-19(21)11-14)22-8-7-13-5-6-16(25-2)17(9-13)26-3/h5-6,9-12,22H,7-8H2,1-4H3
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| InChIKey |
XIMPKBGBRDGPHU-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1