General Information of the Compound
| Compound ID |
CP0413716
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| Compound Name |
3-(cyclopropylmethyl)-7-(3-phenylpyrrolidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H21F3N4
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| Molecular Weight |
386.421
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(C1)c1ccccc1
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| InChI |
InChI=1S/C21H21F3N4/c22-21(23,24)19-17(27-10-8-16(13-27)15-4-2-1-3-5-15)9-11-28-18(12-14-6-7-14)25-26-20(19)28/h1-5,9,11,14,16H,6-8,10,12-13H2
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| InChIKey |
KOBHXKVGKGEKFN-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