General Information of the Compound
| Compound ID |
CP0403021
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| Compound Name |
1-(4-bromophenyl)-6-cyclopropyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C19H18BrN3O2
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| Molecular Weight |
400.276
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| Canonical SMILES |
CC(C)c1nn(-c2ccc(Br)cc2)c2nc(cc(C(O)=O)c12)C1CC1
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| InChI |
InChI=1S/C19H18BrN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25)
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| InChIKey |
PASWNRXWQARAMT-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