General Information of the Compound
| Compound ID |
CP0420732
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| Compound Name |
5-[(4-bromophenyl)methoxy]-N-[[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]methyl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C30H24BrN5O4
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| Molecular Weight |
598.457
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| Canonical SMILES |
Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCc2cn(CCc3c[nH]c4ccccc34)nn2)cc1
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| InChI |
InChI=1S/C30H24BrN5O4/c31-21-10-8-19(9-11-21)18-39-26-6-3-7-27-29(26)25(37)14-28(40-27)30(38)33-16-22-17-36(35-34-22)13-12-20-15-32-24-5-2-1-4-23(20)24/h1-11,14-15,17,32H,12-13,16,18H2,(H,33,38)
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| InChIKey |
BTPQGVOYZJETIT-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