General Information of the Compound
| Compound ID |
CP0542697
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| Compound Name |
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C19H25N7O3S
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| Molecular Weight |
431.522
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2[nH]ncc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C19H25N7O3S/c1-19(13-20)3-5-24(6-4-19)16-14-12-22-23-17(14)21-11-15(16)18(27)25-7-9-26(10-8-25)30(2,28)29/h11-12H,3-10H2,1-2H3,(H,21,22,23)
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| InChIKey |
RLQNSOAGWDYXPG-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