General Information of the Compound
Compound ID |
CP0483153
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Compound Name |
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methoxy]-4-oxochromene-2-carboxamide
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Structure |
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Formula |
C29H26N2O5
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Molecular Weight |
482.536
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Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(C)cc5)cccc4o3)c2c1
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InChI |
InChI=1S/C29H26N2O5/c1-18-6-8-19(9-7-18)17-35-25-4-3-5-26-28(25)24(32)15-27(36-26)29(33)30-13-12-20-16-31-23-11-10-21(34-2)14-22(20)23/h3-11,14-16,31H,12-13,17H2,1-2H3,(H,30,33)
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InChIKey |
PBCHRNMPZHSGCE-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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