General Information of the Compound
| Compound ID |
CP0076900
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| Compound Name |
2-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]indol-4-yl]amino]-2-oxoacetic acid
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| Structure |
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| Formula |
C20H20N2O4
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| Molecular Weight |
352.39
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| Canonical SMILES |
CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O
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| InChI |
InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,25,26)
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| InChIKey |
AHPLOHJAEWIFEV-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