General Information of the Compound
| Compound ID |
CP0455531
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| Compound Name |
3-(3-chlorophenyl)-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C22H15ClN4
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| Molecular Weight |
370.843
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| Canonical SMILES |
Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
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| InChI |
InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)
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| InChIKey |
NGXLNVSVVQPEMX-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