General Information of the Compound
| Compound ID |
CP0242029
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| Compound Name |
2-[2,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cc(C)cnc2n1Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H20N2O4S/c1-12-8-17-16(9-18(22)23)13(2)21(19(17)20-10-12)11-14-4-6-15(7-5-14)26(3,24)25/h4-8,10H,9,11H2,1-3H3,(H,22,23)
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| InChIKey |
JKBORZNOLHMWRZ-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