General Information of the Compound
| Compound ID |
CP0379871
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| Compound Name |
2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C18H18N2O3
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| Molecular Weight |
310.353
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| Canonical SMILES |
COc1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
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| InChI |
InChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22)
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| InChIKey |
KDVHQSDKFPRKOR-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