General Information of the Compound
| Compound ID |
CP0390177
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| Compound Name |
5-[(4-bromophenyl)methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methyl-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C29H25BrN2O5
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| Molecular Weight |
561.432
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| Canonical SMILES |
COc1ccc2[nH]cc(CCN(C)C(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1
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| InChI |
InChI=1S/C29H25BrN2O5/c1-32(13-12-19-16-31-23-11-10-21(35-2)14-22(19)23)29(34)27-15-24(33)28-25(4-3-5-26(28)37-27)36-17-18-6-8-20(30)9-7-18/h3-11,14-16,31H,12-13,17H2,1-2H3
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| InChIKey |
KLACDMNKSODHOZ-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