General Information of the Compound
| Compound ID |
CP0007779
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| Compound Name |
5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]amino]-1H-pyridin-2-one
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| Structure |
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| Formula |
C20H25N9O3S
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| Molecular Weight |
471.547
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| Canonical SMILES |
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)
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| InChIKey |
ZRGWDDIDICLFTF-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