General Information of the Compound
| Compound ID |
CP0512449
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| Compound Name |
7-[[1-(4-chlorophenyl)cyclopropyl]methoxy]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H19ClF3N3O
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| Molecular Weight |
421.85
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| Canonical SMILES |
FC(F)(F)c1c(OCC2(CC2)c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C21H19ClF3N3O/c22-15-5-3-14(4-6-15)20(8-9-20)12-29-16-7-10-28-17(11-13-1-2-13)26-27-19(28)18(16)21(23,24)25/h3-7,10,13H,1-2,8-9,11-12H2
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| InChIKey |
WBRPSHURBOTREI-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