General Information of the Compound
| Compound ID |
CP0507410
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| Compound Name |
methyl (2S)-2-[[5-[(2-bromophenyl)methoxy]-4-oxochromene-2-carbonyl]amino]-3-methylbutanoate
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| Formula |
C23H22BrNO6
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| Molecular Weight |
488.334
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| Canonical SMILES |
COC(=O)[C@@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(C)C
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| InChI |
InChI=1S/C23H22BrNO6/c1-13(2)21(23(28)29-3)25-22(27)19-11-16(26)20-17(9-6-10-18(20)31-19)30-12-14-7-4-5-8-15(14)24/h4-11,13,21H,12H2,1-3H3,(H,25,27)/t21-/m0/s1
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| InChIKey |
RSBYILJKKPQKCG-NRFANRHFSA-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