General Information of the Compound
| Compound ID |
CP0512450
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| Compound Name |
3-(cyclopropylmethyl)-7-(3-phenylcyclobutyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H20F3N3O
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| Molecular Weight |
387.405
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| Canonical SMILES |
FC(F)(F)c1c(OC2CC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C21H20F3N3O/c22-21(23,24)19-17(28-16-11-15(12-16)14-4-2-1-3-5-14)8-9-27-18(10-13-6-7-13)25-26-20(19)27/h1-5,8-9,13,15-16H,6-7,10-12H2
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| InChIKey |
RRXBINRLCLVQAK-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