General Information of the Compound
| Compound ID |
CP0352579
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylsulfonylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H27N3O5S
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| Molecular Weight |
469.563
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)S(C)(=O)=O)C(=O)C1CC1
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| InChI |
InChI=1S/C24H27N3O5S/c1-4-26(24(30)16-6-7-16)13-18-11-19(33(3,31)32)8-10-21(18)27-14-17(12-22(28)29)20-9-5-15(2)25-23(20)27/h5,8-11,14,16H,4,6-7,12-13H2,1-3H3,(H,28,29)
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| InChIKey |
URHVDKJPZIWNNA-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