General Information of the Compound
| Compound ID |
CP0128624
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| Compound Name |
6-[[6-(1-cyclopropylpyrazol-4-yl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]quinoline
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| Structure |
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| Formula |
C22H15F3N6
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| Molecular Weight |
420.398
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| Canonical SMILES |
Fc1cc(cn2c(nnc12)C(F)(F)c1ccc2ncccc2c1)-c1cnn(c1)C1CC1
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| InChI |
InChI=1S/C22H15F3N6/c23-18-9-14(15-10-27-31(12-15)17-4-5-17)11-30-20(18)28-29-21(30)22(24,25)16-3-6-19-13(8-16)2-1-7-26-19/h1-3,6-12,17H,4-5H2
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| InChIKey |
AIFBTSOHUKCCPN-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