General Information of the Compound
| Compound ID |
CP0562181
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| Compound Name |
2-[6-methyl-1-[4-methyl-2-[(2-methylimidazol-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
Cc1nccn1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C22H22N4O2/c1-14-4-7-20(18(10-14)12-25-9-8-23-16(25)3)26-13-17(11-21(27)28)19-6-5-15(2)24-22(19)26/h4-10,13H,11-12H2,1-3H3,(H,27,28)
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| InChIKey |
FRECLKUSNINBOF-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