General Information of the Compound
| Compound ID |
CP0248104
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C22H22FN3O3
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| Molecular Weight |
395.434
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| Canonical SMILES |
CCN(Cc1cc(F)ccc1-n1cc(CC(O)=O)c2cccnc12)C(=O)C1CC1
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| InChI |
InChI=1S/C22H22FN3O3/c1-2-25(22(29)14-5-6-14)12-16-10-17(23)7-8-19(16)26-13-15(11-20(27)28)18-4-3-9-24-21(18)26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,27,28)
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| InChIKey |
IRESRZGWHFIUCK-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