General Information of the Compound
| Compound ID |
CP0419290
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| Compound Name |
3-(4-chloro-3-methoxyphenyl)-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C23H17ClN4O
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| Molecular Weight |
400.869
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
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| InChI |
InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
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| InChIKey |
BXPQGUJZXGETOK-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