General Information of the Compound
Compound ID |
CP0918251
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Compound Name |
3-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-2-(isopropylamino)-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetic acid
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Structure |
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Formula |
C26H29ClF4N6O4
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Molecular Weight |
601.001
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Canonical SMILES |
CC(C)Nc1nc2cc(C(=O)N(C)C)ncc2nc1N1CCC(Oc2ccc(Cl)cc2F)CC1.O=C(O)C(F)(F)F
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InChI |
InChI=1S/C24H28ClFN6O2.C2HF3O2/c1-14(2)28-22-23(30-20-13-27-19(12-18(20)29-22)24(33)31(3)4)32-9-7-16(8-10-32)34-21-6-5-15(25)11-17(21)26;3-2(4,5)1(6)7/h5-6,11-14,16H,7-10H2,1-4H3,(H,28,29);(H,6,7)
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InChIKey |
IJHHTYHSBBKGPH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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