General Information of the Compound
| Compound ID |
CP0383852
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| Compound Name |
3-methyl-4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyrazolo[3,4-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C21H15N7S
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| Molecular Weight |
397.467
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| Canonical SMILES |
Cc1cc(-n2ccc(n2)-c2nccs2)c2cnn(-c3ccc(cc3C)C#N)c2n1
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| InChI |
InChI=1S/C21H15N7S/c1-13-9-15(11-22)3-4-18(13)28-20-16(12-24-28)19(10-14(2)25-20)27-7-5-17(26-27)21-23-6-8-29-21/h3-10,12H,1-2H3
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| InChIKey |
MVAADJAUSSYNMW-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