General Information of the Compound
| Compound ID |
CP0554499
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| Compound Name |
2-[1-[(3-chlorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C17H15ClN2O2
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| Molecular Weight |
314.772
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-6-3-7-19-17(14)20(11)10-12-4-2-5-13(18)8-12/h2-8H,9-10H2,1H3,(H,21,22)
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| InChIKey |
BBOCFHCYUCGLAA-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