General Information of the Compound
| Compound ID |
CP0417646
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| Compound Name |
4-[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-propan-2-ylaniline
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| Structure |
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| Formula |
C19H20ClFN4
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| Molecular Weight |
358.848
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| Canonical SMILES |
CC(C)Nc1ccc(cc1F)-c1ccn2c(CC3CC3)nnc2c1Cl
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| InChI |
InChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3
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| InChIKey |
CPRAFSBECNYZNT-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