General Information of the Compound
| Compound ID |
CP0364478
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| Compound Name |
4-methyl-1-[1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C20H27N7O3S
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| Molecular Weight |
445.549
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| Canonical SMILES |
Cn1ncc2c(N3CCC(C)(CC3)C#N)c(cnc12)C(=O)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H27N7O3S/c1-20(14-21)4-6-25(7-5-20)17-15-13-23-24(2)18(15)22-12-16(17)19(28)26-8-10-27(11-9-26)31(3,29)30/h12-13H,4-11H2,1-3H3
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| InChIKey |
BPDXDPDWTNLLSJ-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