General Information of the Compound
| Compound ID |
CP0248105
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
CCN(Cc1ccccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1
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| InChI |
InChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28)
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| InChIKey |
XEVJNZJFNPNRFH-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