General Information of the Compound
| Compound ID |
CP0427820
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C24H25F5N4O
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| Molecular Weight |
480.481
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| Canonical SMILES |
Fc1ccc(COC2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
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| InChI |
InChI=1S/C24H25F5N4O/c25-18-4-3-17(20(26)12-18)14-34-19-6-8-32(9-7-19)13-16-5-10-33-21(11-15-1-2-15)30-31-23(33)22(16)24(27,28)29/h3-5,10,12,15,19H,1-2,6-9,11,13-14H2
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| InChIKey |
DIJFBHBUISNWEJ-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