General Information of the Compound
| Compound ID |
CP0915845
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| Compound Name |
Methyl (5-((4-bromobenzyl)oxy)-4-oxo-4H-chromene-2-carbonyl)-L-tryptophanate
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| Formula |
C29H23BrN2O6
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| Molecular Weight |
575.415
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| Canonical SMILES |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1
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| InChI |
InChI=1S/C29H23BrN2O6/c1-36-29(35)22(13-18-15-31-21-6-3-2-5-20(18)21)32-28(34)26-14-23(33)27-24(7-4-8-25(27)38-26)37-16-17-9-11-19(30)12-10-17/h2-12,14-15,22,31H,13,16H2,1H3,(H,32,34)/t22-/m0/s1
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| InChIKey |
VGJQLSYFQXCGJU-QFIPXVFZSA-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