General Information of the Compound
| Compound ID |
CP0054194
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| Compound Name |
2-[1-[4-chloro-2-[(3,5-dicyclopropyl-1,2-oxazol-4-yl)methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C26H24ClN3O3
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| Molecular Weight |
461.949
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccc(Cl)cc3Cc3c(noc3C3CC3)C3CC3)c2n1
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| InChI |
InChI=1S/C26H24ClN3O3/c1-14-2-8-20-18(12-23(31)32)13-30(26(20)28-14)22-9-7-19(27)10-17(22)11-21-24(15-3-4-15)29-33-25(21)16-5-6-16/h2,7-10,13,15-16H,3-6,11-12H2,1H3,(H,31,32)
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| InChIKey |
BRLNZTKWJHFESP-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