General Information of the Compound
| Compound ID |
CP0413717
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| Compound Name |
2-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C20H19F3N4
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| Molecular Weight |
372.394
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2
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| InChIKey |
NHWGHJUHFDUWQN-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