General Information of the Compound
| Compound ID |
CP0336833
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| Compound Name |
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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| Structure |
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| Formula |
C25H28N6O2S
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| Molecular Weight |
476.606
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| Canonical SMILES |
CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1
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| InChI |
InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)
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| InChIKey |
YWMLURLUTWNCDX-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