General Information of the Compound
| Compound ID |
CP0407842
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| Compound Name |
3-[(5-carboxy-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
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| Structure |
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| Formula |
C19H14N2O4
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| Molecular Weight |
334.331
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| Canonical SMILES |
OC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(cc34)C(O)=O)c2c1
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| InChI |
InChI=1S/C19H14N2O4/c22-18(23)10-1-3-16-14(6-10)12(8-20-16)5-13-9-21-17-4-2-11(19(24)25)7-15(13)17/h1-4,6-9,20-21H,5H2,(H,22,23)(H,24,25)
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| InChIKey |
WMOTXJFYJGHGHF-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