General Information of the Compound
| Compound ID |
CP0479528
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| Compound Name |
3-(cyclopropylmethyl)-7-(1,3-dihydroisoindol-2-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C19H17F3N4
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| Molecular Weight |
358.367
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C19H17F3N4/c20-19(21,22)17-15(25-10-13-3-1-2-4-14(13)11-25)7-8-26-16(9-12-5-6-12)23-24-18(17)26/h1-4,7-8,12H,5-6,9-11H2
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| InChIKey |
AMBUFGVLRBBGHJ-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