General Information of the Compound
| Compound ID |
CP0391088
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| Compound Name |
2-(2,5-dimethyl-3-(quinolin-4-yl)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
Cc1c(-c2ccnc3ccccc23)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C21H18N2O2/c1-13-7-8-19-17(11-13)21(14(2)23(19)12-20(24)25)16-9-10-22-18-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,24,25)
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| InChIKey |
LMGMINBSBGUQCT-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