General Information of the Compound
| Compound ID |
CP0007778
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| Compound Name |
4-methyl-6-[2-[(6-methylpyridin-3-yl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C21H27N9O2S
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| Molecular Weight |
469.575
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| Canonical SMILES |
Cc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
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| InChI |
InChI=1S/C21H27N9O2S/c1-14-4-5-17(12-23-14)27-19-18(20-25-15(2)26-21(22)28-20)10-16(11-24-19)13-29-6-8-30(9-7-29)33(3,31)32/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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| InChIKey |
NRNPLKNQEHSDHU-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