General Information of the Compound
| Compound ID |
CP0909344
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| Compound Name |
2-(5-methyl-4-(2-(3-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C24H18F3N7O2S
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| Molecular Weight |
525.516
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H18F3N7O2S/c1-13-16(11-28-34(13)23-30-20(35)18-6-3-8-33(18)31-23)22(36)32-9-7-17-19(12-32)37-21(29-17)14-4-2-5-15(10-14)24(25,26)27/h2-6,8,10-11H,7,9,12H2,1H3,(H,30,31,35)
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| InChIKey |
JFKALGVBYMIISI-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