General Information of the Compound
| Compound ID |
CP0957841
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| Compound Name |
1-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2,2-difluoroethanone trifluoroacetic acid
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| Structure |
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| Formula |
C26H30F7N5O4
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| Molecular Weight |
609.543
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C(=O)C(F)F)C2C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29F4N5O2.C2HF3O2/c1-13(2)29-22-23(30-18-8-11-33(24(34)21(27)28)14(3)20(18)31-22)32-9-6-16(7-10-32)35-19-5-4-15(25)12-17(19)26;3-2(4,5)1(6)7/h4-5,12-14,16,21H,6-11H2,1-3H3,(H,29,31);(H,6,7)
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| InChIKey |
RDLZNLVCGVEZFD-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