General Information of the Compound
| Compound ID |
CP0850986
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| Compound Name |
{1-[1-(4-Chloro-phenyl)-ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-acetic acid
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| Structure |
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| Formula |
C18H17ClN2O2
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| Molecular Weight |
328.799
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| Canonical SMILES |
Cc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H17ClN2O2/c1-11(13-5-7-14(19)8-6-13)21-12(2)16(10-17(22)23)15-4-3-9-20-18(15)21/h3-9,11H,10H2,1-2H3,(H,22,23)
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| InChIKey |
QDVYIXTZVQGJNS-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