General Information of the Compound
| Compound ID |
CP0427830
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-(2,6-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H22F5N5
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| Molecular Weight |
451.443
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| Canonical SMILES |
Fc1cccc(F)c1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H22F5N5/c23-16-2-1-3-17(24)20(16)31-10-8-30(9-11-31)13-15-6-7-32-18(12-14-4-5-14)28-29-21(32)19(15)22(25,26)27/h1-3,6-7,14H,4-5,8-13H2
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| InChIKey |
BVCPTVYTUVHPES-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