General Information of the Compound
| Compound ID |
CP0562941
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| Compound Name |
3-(cyclopropylmethyl)-7-[3-(4-fluorophenyl)cyclobutyl]oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H19F4N3O
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| Molecular Weight |
405.395
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| Canonical SMILES |
Fc1ccc(cc1)C1CC(C1)Oc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
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| InChI |
InChI=1S/C21H19F4N3O/c22-15-5-3-13(4-6-15)14-10-16(11-14)29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2
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| InChIKey |
VEVSQMSRVIORSA-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