General Information of the Compound
| Compound ID |
CP0463574
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| Compound Name |
5,6-dihydroxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
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| Structure |
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| Formula |
C17H15NO4
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| Molecular Weight |
297.31
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| Canonical SMILES |
Cc1ccc(Cn2c(cc3cc(O)c(O)cc23)C(O)=O)cc1
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| InChI |
InChI=1S/C17H15NO4/c1-10-2-4-11(5-3-10)9-18-13-8-16(20)15(19)7-12(13)6-14(18)17(21)22/h2-8,19-20H,9H2,1H3,(H,21,22)
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| InChIKey |
MDNFKSMUNQDUEM-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