General Information of the Compound
| Compound ID |
CP0490611
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| Compound Name |
2-[1-[2-(imidazol-1-ylmethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccccc3Cn3ccnc3)c2n1
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| InChI |
InChI=1S/C20H18N4O2/c1-14-6-7-17-16(10-19(25)26)12-24(20(17)22-14)18-5-3-2-4-15(18)11-23-9-8-21-13-23/h2-9,12-13H,10-11H2,1H3,(H,25,26)
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| InChIKey |
CPHHAHUHCGGASX-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