General Information of the Compound
| Compound ID |
CP0545407
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| Compound Name |
5-[(4-bromophenyl)methoxy]-N-[1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C33H32BrN3O6
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| Molecular Weight |
646.538
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)C(NC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)C(C)C)c2c1
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| InChI |
InChI=1S/C33H32BrN3O6/c1-19(2)31(33(40)35-14-13-21-17-36-25-12-11-23(41-3)15-24(21)25)37-32(39)29-16-26(38)30-27(5-4-6-28(30)43-29)42-18-20-7-9-22(34)10-8-20/h4-12,15-17,19,31,36H,13-14,18H2,1-3H3,(H,35,40)(H,37,39)
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| InChIKey |
VDBZJURPOQEABU-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