General Information of the Compound
| Compound ID |
CP0486096
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| Compound Name |
N-[5-[1-(2-hydroxyethyl)triazol-4-yl]-2-propanoylphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C23H20N4O5
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| Molecular Weight |
432.436
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cc(=O)c2ccccc2o1)-c1cn(CCO)nn1
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| InChI |
InChI=1S/C23H20N4O5/c1-2-19(29)15-8-7-14(18-13-27(9-10-28)26-25-18)11-17(15)24-23(31)22-12-20(30)16-5-3-4-6-21(16)32-22/h3-8,11-13,28H,2,9-10H2,1H3,(H,24,31)
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| InChIKey |
UMEYJHWTIJSWLP-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2