General Information of the Compound
| Compound ID |
CP0115371
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| Compound Name |
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C20H26N6O3S
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| Molecular Weight |
430.534
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2[nH]ccc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C20H26N6O3S/c1-20(14-21)4-7-24(8-5-20)17-15-3-6-22-18(15)23-13-16(17)19(27)25-9-11-26(12-10-25)30(2,28)29/h3,6,13H,4-5,7-12H2,1-2H3,(H,22,23)
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| InChIKey |
XPRDPHHMAGRJOV-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