General Information of the Compound
| Compound ID |
CP0001493
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| Compound Name |
4-[2-[(5-fluoropyridin-3-yl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C20H24FN9O2S
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| Molecular Weight |
473.538
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| Canonical SMILES |
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1cncc(F)c1
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| InChI |
InChI=1S/C20H24FN9O2S/c1-13-25-19(28-20(22)26-13)17-7-14(12-29-3-5-30(6-4-29)33(2,31)32)9-24-18(17)27-16-8-15(21)10-23-11-16/h7-11H,3-6,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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| InChIKey |
MLKLYQDMHYWKGW-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