General Information of the Compound
| Compound ID |
CP0112922
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| Compound Name |
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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| Structure |
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| Formula |
C24H23F3N6
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| Molecular Weight |
452.484
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H23F3N6/c1-31-12-14-32(15-13-31)20-5-2-4-19(16-20)28-23-29-22-21(6-3-11-33(22)30-23)17-7-9-18(10-8-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,30)
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| InChIKey |
QYLHIQHJHCIUAA-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